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 -174:sc= 1.13 USER MOD Set 1.2: A 67 CYS SG : rot -50:sc= 0.249 USER MOD Set 1.3: A 72 CYS SG : rot 131:sc= 0.694 USER MOD Set 1.4: A 76 HIS : no HE2:sc= -2.43 K(o=-0.35,f=-2.9!) USER MOD Set 2.1: A 62 TYR OH : rot 179:sc= 0.156 USER MOD Set 2.2: A 82 GLN : amide:sc= -1.45 K(o=-1.3,f=0.99) USER MOD Set 3.1: A 23 CYS SG : rot 120:sc= 0.856 USER MOD Set 3.2: A 31 CYS SG : rot 134:sc= 0.353 USER MOD Set 3.3: A 38 CYS SG : rot 141:sc= 0.681 USER MOD Set 3.4: A 42 HIS : no HD1:sc= -3.58 K(o=-1.7,f=-2.4!) USER MOD Set 4.1: A 27 GLN : amide:sc= -0.138 K(o=-0.5,f=-1.7!) USER MOD Set 4.2: A 54 ASN : amide:sc= -0.359 K(o=-0.5,f=-4!) USER MOD Single : A 17 THR OG1 : rot -56:sc= 0.588 USER MOD Single : A 19 LYS NZ :NH3+ -172:sc= 0 (180deg=-0.0168) USER MOD Single : A 30 ASN : amide:sc= -1.89! K(o=-1.9!,f=-0.38) USER MOD Single : A 36 THR OG1 : rot 180:sc= -0.0463 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= 0.0442 USER MOD Single : A 60 MET CE :methyl -145:sc= -1.1 (180deg=-3.29!) 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= -14.7! C(o=-15!,f=-13!) USER MOD Single : A 84 LYS NZ :NH3+ -110:sc= -1.49 (180deg=-1.75) USER MOD Single : A 86 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 216 N THR A 17 -6.932 7.624 -10.470 1.00 0.00 N ATOM 217 CA THR A 17 -5.926 7.258 -9.481 1.00 0.00 C ATOM 218 C THR A 17 -5.991 5.769 -9.157 1.00 0.00 C ATOM 219 O THR A 17 -5.758 5.361 -8.019 1.00 0.00 O ATOM 220 CB THR A 17 -6.099 8.063 -8.179 1.00 0.00 C ATOM 221 OG1 THR A 17 -4.980 7.841 -7.313 1.00 0.00 O ATOM 222 CG2 THR A 17 -7.384 7.669 -7.466 1.00 0.00 C ATOM 0 HA THR A 17 -4.954 7.491 -9.917 1.00 0.00 H new ATOM 0 HB THR A 17 -6.154 9.121 -8.437 1.00 0.00 H new ATOM 0 HG1 THR A 17 -4.879 6.880 -7.148 1.00 0.00 H new ATOM 0 HG21 THR A 17 -7.485 8.250 -6.550 1.00 0.00 H new ATOM 0 HG22 THR A 17 -8.236 7.866 -8.116 1.00 0.00 H new ATOM 0 HG23 THR A 17 -7.353 6.607 -7.221 1.00 0.00 H new ATOM 230 N ASP A 18 -6.307 4.963 -10.164 1.00 0.00 N ATOM 231 CA ASP A 18 -6.400 3.518 -9.986 1.00 0.00 C ATOM 232 C ASP A 18 -5.260 2.807 -10.708 1.00 0.00 C ATOM 233 O ASP A 18 -5.488 1.909 -11.518 1.00 0.00 O ATOM 234 CB ASP A 18 -7.746 3.005 -10.502 1.00 0.00 C ATOM 235 CG ASP A 18 -7.878 3.140 -12.006 1.00 0.00 C ATOM 236 OD1 ASP A 18 -7.441 4.175 -12.549 1.00 0.00 O ATOM 237 OD2 ASP A 18 -8.420 2.209 -12.640 1.00 0.00 O ATOM 0 H ASP A 18 -6.503 5.285 -11.112 1.00 0.00 H new ATOM 0 HA ASP A 18 -6.322 3.302 -8.920 1.00 0.00 H new ATOM 0 HB2 ASP A 18 -7.864 1.958 -10.222 1.00 0.00 H new ATOM 0 HB3 ASP A 18 -8.552 3.557 -10.018 1.00 0.00 H new ATOM 242 N LYS A 19 -4.031 3.216 -10.409 1.00 0.00 N ATOM 243 CA LYS A 19 -2.854 2.619 -11.028 1.00 0.00 C ATOM 244 C LYS A 19 -1.715 2.494 -10.022 1.00 0.00 C ATOM 245 O LYS A 19 -1.409 3.439 -9.293 1.00 0.00 O ATOM 246 CB LYS A 19 -2.402 3.458 -12.226 1.00 0.00 C ATOM 247 CG LYS A 19 -2.568 4.954 -12.018 1.00 0.00 C ATOM 248 CD LYS A 19 -2.843 5.671 -13.329 1.00 0.00 C ATOM 249 CE LYS A 19 -1.556 6.147 -13.984 1.00 0.00 C ATOM 250 NZ LYS A 19 -1.010 7.362 -13.318 1.00 0.00 N ATOM 0 H LYS A 19 -3.825 3.959 -9.741 1.00 0.00 H new ATOM 0 HA LYS A 19 -3.122 1.620 -11.372 1.00 0.00 H new ATOM 0 HB2 LYS A 19 -1.354 3.243 -12.435 1.00 0.00 H new ATOM 0 HB3 LYS A 19 -2.971 3.157 -13.105 1.00 0.00 H new ATOM 0 HG2 LYS A 19 -3.388 5.137 -11.323 1.00 0.00 H new ATOM 0 HG3 LYS A 19 -1.666 5.361 -11.562 1.00 0.00 H new ATOM 0 HD2 LYS A 19 -3.372 5.001 -14.007 1.00 0.00 H new ATOM 0 HD3 LYS A 19 -3.498 6.524 -13.148 1.00 0.00 H new ATOM 0 HE2 LYS A 19 -0.814 5.349 -13.949 1.00 0.00 H new ATOM 0 HE3 LYS A 19 -1.742 6.363 -15.036 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 -0.213 7.733 -13.873 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 -1.754 8.086 -13.253 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 -0.682 7.116 -12.362 1.00 0.00 H new ATOM 264 N LEU A 20 -1.088 1.323 -9.988 1.00 0.00 N ATOM 265 CA LEU A 20 0.020 1.075 -9.072 1.00 0.00 C ATOM 266 C LEU A 20 1.276 0.664 -9.835 1.00 0.00 C ATOM 267 O LEU A 20 1.260 -0.300 -10.600 1.00 0.00 O ATOM 268 CB LEU A 20 -0.358 -0.014 -8.066 1.00 0.00 C ATOM 269 CG LEU A 20 -1.017 0.468 -6.773 1.00 0.00 C ATOM 270 CD1 LEU A 20 -1.764 -0.672 -6.098 1.00 0.00 C ATOM 271 CD2 LEU A 20 0.023 1.057 -5.832 1.00 0.00 C ATOM 0 H LEU A 20 -1.328 0.531 -10.584 1.00 0.00 H new ATOM 0 HA LEU A 20 0.229 2.000 -8.535 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -1.034 -0.715 -8.556 1.00 0.00 H new ATOM 0 HB3 LEU A 20 0.543 -0.570 -7.806 1.00 0.00 H new ATOM 0 HG LEU A 20 -1.735 1.249 -7.023 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -2.227 -0.311 -5.180 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -2.536 -1.049 -6.769 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -1.066 -1.475 -5.861 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -0.464 1.395 -4.917 1.00 0.00 H new ATOM 0 HD22 LEU A 20 0.765 0.297 -5.589 1.00 0.00 H new ATOM 0 HD23 LEU A 20 0.514 1.902 -6.315 1.00 0.00 H new ATOM 283 N GLU A 21 2.361 1.400 -9.618 1.00 0.00 N ATOM 284 CA GLU A 21 3.625 1.110 -10.285 1.00 0.00 C ATOM 285 C GLU A 21 4.205 -0.216 -9.800 1.00 0.00 C ATOM 286 O GLU A 21 4.487 -0.386 -8.614 1.00 0.00 O ATOM 287 CB GLU A 21 4.628 2.239 -10.037 1.00 0.00 C ATOM 288 CG GLU A 21 4.490 3.400 -11.006 1.00 0.00 C ATOM 289 CD GLU A 21 5.287 4.617 -10.577 1.00 0.00 C ATOM 290 OE1 GLU A 21 6.512 4.480 -10.372 1.00 0.00 O ATOM 291 OE2 GLU A 21 4.687 5.704 -10.447 1.00 0.00 O ATOM 0 H GLU A 21 2.390 2.200 -8.986 1.00 0.00 H new ATOM 0 HA GLU A 21 3.432 1.033 -11.355 1.00 0.00 H new ATOM 0 HB2 GLU A 21 4.501 2.609 -9.020 1.00 0.00 H new ATOM 0 HB3 GLU A 21 5.639 1.837 -10.106 1.00 0.00 H new ATOM 0 HG2 GLU A 21 4.821 3.084 -11.995 1.00 0.00 H new ATOM 0 HG3 GLU A 21 3.438 3.672 -11.094 1.00 0.00 H new ATOM 298 N VAL A 22 4.379 -1.153 -10.727 1.00 0.00 N ATOM 299 CA VAL A 22 4.925 -2.463 -10.395 1.00 0.00 C ATOM 300 C VAL A 22 6.418 -2.378 -10.097 1.00 0.00 C ATOM 301 O VAL A 22 7.171 -1.729 -10.824 1.00 0.00 O ATOM 302 CB VAL A 22 4.698 -3.471 -11.538 1.00 0.00 C ATOM 303 CG1 VAL A 22 5.624 -4.669 -11.386 1.00 0.00 C ATOM 304 CG2 VAL A 22 3.243 -3.913 -11.577 1.00 0.00 C ATOM 0 H VAL A 22 4.150 -1.029 -11.713 1.00 0.00 H new ATOM 0 HA VAL A 22 4.399 -2.808 -9.505 1.00 0.00 H new ATOM 0 HB VAL A 22 4.930 -2.980 -12.483 1.00 0.00 H new ATOM 0 HG11 VAL A 22 5.449 -5.370 -12.202 1.00 0.00 H new ATOM 0 HG12 VAL A 22 6.661 -4.333 -11.412 1.00 0.00 H new ATOM 0 HG13 VAL A 22 5.426 -5.163 -10.435 1.00 0.00 H new ATOM 0 HG21 VAL A 22 3.101 -4.625 -12.390 1.00 0.00 H new ATOM 0 HG22 VAL A 22 2.981 -4.386 -10.631 1.00 0.00 H new ATOM 0 HG23 VAL A 22 2.603 -3.045 -11.738 1.00 0.00 H new ATOM 314 N CYS A 23 6.840 -3.037 -9.023 1.00 0.00 N ATOM 315 CA CYS A 23 8.243 -3.036 -8.627 1.00 0.00 C ATOM 316 C CYS A 23 9.087 -3.837 -9.614 1.00 0.00 C ATOM 317 O CYS A 23 8.614 -4.809 -10.204 1.00 0.00 O ATOM 318 CB CYS A 23 8.397 -3.614 -7.219 1.00 0.00 C ATOM 319 SG CYS A 23 9.785 -2.909 -6.273 1.00 0.00 S ATOM 0 H CYS A 23 6.230 -3.579 -8.411 1.00 0.00 H new ATOM 0 HA CYS A 23 8.595 -2.005 -8.629 1.00 0.00 H new ATOM 0 HB2 CYS A 23 7.473 -3.447 -6.666 1.00 0.00 H new ATOM 0 HB3 CYS A 23 8.533 -4.693 -7.294 1.00 0.00 H new ATOM 0 HG CYS A 23 9.331 -2.340 -5.196 1.00 0.00 H new ATOM 324 N ARG A 24 10.338 -3.423 -9.787 1.00 0.00 N ATOM 325 CA ARG A 24 11.247 -4.102 -10.702 1.00 0.00 C ATOM 326 C ARG A 24 12.012 -5.211 -9.986 1.00 0.00 C ATOM 327 O ARG A 24 12.173 -6.309 -10.517 1.00 0.00 O ATOM 328 CB ARG A 24 12.231 -3.101 -11.312 1.00 0.00 C ATOM 329 CG ARG A 24 11.587 -2.135 -12.294 1.00 0.00 C ATOM 330 CD ARG A 24 12.624 -1.243 -12.958 1.00 0.00 C ATOM 331 NE ARG A 24 12.010 -0.254 -13.840 1.00 0.00 N ATOM 332 CZ ARG A 24 11.529 0.910 -13.417 1.00 0.00 C ATOM 333 NH1 ARG A 24 11.591 1.229 -12.131 1.00 0.00 N ATOM 334 NH2 ARG A 24 10.986 1.758 -14.281 1.00 0.00 N ATOM 0 H ARG A 24 10.745 -2.621 -9.306 1.00 0.00 H new ATOM 0 HA ARG A 24 10.653 -4.550 -11.499 1.00 0.00 H new ATOM 0 HB2 ARG A 24 12.701 -2.531 -10.510 1.00 0.00 H new ATOM 0 HB3 ARG A 24 13.024 -3.648 -11.821 1.00 0.00 H new ATOM 0 HG2 ARG A 24 11.046 -2.696 -13.056 1.00 0.00 H new ATOM 0 HG3 ARG A 24 10.855 -1.518 -11.773 1.00 0.00 H new ATOM 0 HD2 ARG A 24 13.208 -0.733 -12.192 1.00 0.00 H new ATOM 0 HD3 ARG A 24 13.318 -1.858 -13.531 1.00 0.00 H new ATOM 0 HE ARG A 24 11.947 -0.469 -14.835 1.00 0.00 H new ATOM 0 HH11 ARG A 24 12.009 0.580 -11.464 1.00 0.00 H new ATOM 0 HH12 ARG A 24 11.221 2.123 -11.809 1.00 0.00 H new ATOM 0 HH21 ARG A 24 10.938 1.516 -15.271 1.00 0.00 H new ATOM 0 HH22 ARG A 24 10.617 2.651 -13.955 1.00 0.00 H new ATOM 348 N GLU A 25 12.481 -4.915 -8.778 1.00 0.00 N ATOM 349 CA GLU A 25 13.230 -5.887 -7.990 1.00 0.00 C ATOM 350 C GLU A 25 12.392 -7.135 -7.727 1.00 0.00 C ATOM 351 O GLU A 25 12.792 -8.249 -8.068 1.00 0.00 O ATOM 352 CB GLU A 25 13.673 -5.269 -6.663 1.00 0.00 C ATOM 353 CG GLU A 25 14.846 -4.313 -6.799 1.00 0.00 C ATOM 354 CD GLU A 25 14.899 -3.291 -5.680 1.00 0.00 C ATOM 355 OE1 GLU A 25 13.823 -2.836 -5.240 1.00 0.00 O ATOM 356 OE2 GLU A 25 16.018 -2.947 -5.244 1.00 0.00 O ATOM 0 H GLU A 25 12.356 -4.010 -8.324 1.00 0.00 H new ATOM 0 HA GLU A 25 14.113 -6.176 -8.561 1.00 0.00 H new ATOM 0 HB2 GLU A 25 12.831 -4.737 -6.220 1.00 0.00 H new ATOM 0 HB3 GLU A 25 13.944 -6.068 -5.972 1.00 0.00 H new ATOM 0 HG2 GLU A 25 15.775 -4.883 -6.810 1.00 0.00 H new ATOM 0 HG3 GLU A 25 14.779 -3.795 -7.756 1.00 0.00 H new ATOM 363 N PHE A 26 11.227 -6.941 -7.119 1.00 0.00 N ATOM 364 CA PHE A 26 10.332 -8.050 -6.808 1.00 0.00 C ATOM 365 C PHE A 26 10.254 -9.030 -7.976 1.00 0.00 C ATOM 366 O PHE A 26 10.271 -10.245 -7.782 1.00 0.00 O ATOM 367 CB PHE A 26 8.934 -7.527 -6.473 1.00 0.00 C ATOM 368 CG PHE A 26 7.843 -8.528 -6.726 1.00 0.00 C ATOM 369 CD1 PHE A 26 7.477 -9.437 -5.746 1.00 0.00 C ATOM 370 CD2 PHE A 26 7.182 -8.559 -7.943 1.00 0.00 C ATOM 371 CE1 PHE A 26 6.474 -10.359 -5.977 1.00 0.00 C ATOM 372 CE2 PHE A 26 6.178 -9.479 -8.180 1.00 0.00 C ATOM 373 CZ PHE A 26 5.823 -10.379 -7.195 1.00 0.00 C ATOM 0 H PHE A 26 10.880 -6.026 -6.832 1.00 0.00 H new ATOM 0 HA PHE A 26 10.733 -8.575 -5.941 1.00 0.00 H new ATOM 0 HB2 PHE A 26 8.908 -7.230 -5.425 1.00 0.00 H new ATOM 0 HB3 PHE A 26 8.739 -6.632 -7.063 1.00 0.00 H new ATOM 0 HD1 PHE A 26 7.981 -9.425 -4.791 1.00 0.00 H new ATOM 0 HD2 PHE A 26 7.454 -7.856 -8.716 1.00 0.00 H new ATOM 0 HE1 PHE A 26 6.199 -11.063 -5.206 1.00 0.00 H new ATOM 0 HE2 PHE A 26 5.672 -9.494 -9.134 1.00 0.00 H new ATOM 0 HZ PHE A 26 5.037 -11.098 -7.377 1.00 0.00 H new ATOM 383 N GLN A 27 10.169 -8.491 -9.188 1.00 0.00 N ATOM 384 CA GLN A 27 10.087 -9.317 -10.387 1.00 0.00 C ATOM 385 C GLN A 27 11.157 -10.403 -10.373 1.00 0.00 C ATOM 386 O GLN A 27 10.863 -11.580 -10.579 1.00 0.00 O ATOM 387 CB GLN A 27 10.237 -8.451 -11.639 1.00 0.00 C ATOM 388 CG GLN A 27 9.253 -7.294 -11.700 1.00 0.00 C ATOM 389 CD GLN A 27 8.909 -6.895 -13.122 1.00 0.00 C ATOM 390 OE1 GLN A 27 8.859 -7.736 -14.020 1.00 0.00 O ATOM 391 NE2 GLN A 27 8.670 -5.606 -13.334 1.00 0.00 N ATOM 0 H GLN A 27 10.155 -7.487 -9.366 1.00 0.00 H new ATOM 0 HA GLN A 27 9.109 -9.797 -10.402 1.00 0.00 H new ATOM 0 HB2 GLN A 27 11.252 -8.056 -11.678 1.00 0.00 H new ATOM 0 HB3 GLN A 27 10.104 -9.077 -12.522 1.00 0.00 H new ATOM 0 HG2 GLN A 27 8.340 -7.571 -11.173 1.00 0.00 H new ATOM 0 HG3 GLN A 27 9.675 -6.435 -11.178 1.00 0.00 H new ATOM 0 HE21 GLN A 27 8.723 -4.944 -12.560 1.00 0.00 H new ATOM 0 HE22 GLN A 27 8.434 -5.278 -14.271 1.00 0.00 H new ATOM 400 N ARG A 28 12.400 -9.999 -10.131 1.00 0.00 N ATOM 401 CA ARG A 28 13.515 -10.938 -10.093 1.00 0.00 C ATOM 402 C ARG A 28 13.745 -11.451 -8.674 1.00 0.00 C ATOM 403 O ARG A 28 14.821 -11.953 -8.352 1.00 0.00 O ATOM 404 CB ARG A 28 14.788 -10.273 -10.619 1.00 0.00 C ATOM 405 CG ARG A 28 15.341 -9.200 -9.696 1.00 0.00 C ATOM 406 CD ARG A 28 16.385 -8.345 -10.397 1.00 0.00 C ATOM 407 NE ARG A 28 15.786 -7.442 -11.376 1.00 0.00 N ATOM 408 CZ ARG A 28 16.443 -6.950 -12.420 1.00 0.00 C ATOM 409 NH1 ARG A 28 17.714 -7.271 -12.620 1.00 0.00 N ATOM 410 NH2 ARG A 28 15.829 -6.133 -13.267 1.00 0.00 N ATOM 0 H ARG A 28 12.660 -9.028 -9.958 1.00 0.00 H new ATOM 0 HA ARG A 28 13.266 -11.785 -10.732 1.00 0.00 H new ATOM 0 HB2 ARG A 28 15.550 -11.037 -10.772 1.00 0.00 H new ATOM 0 HB3 ARG A 28 14.581 -9.830 -11.593 1.00 0.00 H new ATOM 0 HG2 ARG A 28 14.527 -8.566 -9.344 1.00 0.00 H new ATOM 0 HG3 ARG A 28 15.783 -9.668 -8.817 1.00 0.00 H new ATOM 0 HD2 ARG A 28 16.934 -7.764 -9.656 1.00 0.00 H new ATOM 0 HD3 ARG A 28 17.108 -8.991 -10.895 1.00 0.00 H new ATOM 0 HE ARG A 28 14.810 -7.175 -11.251 1.00 0.00 H new ATOM 0 HH11 ARG A 28 18.190 -7.898 -11.971 1.00 0.00 H new ATOM 0 HH12 ARG A 28 18.216 -6.891 -13.423 1.00 0.00 H new ATOM 0 HH21 ARG A 28 14.852 -5.883 -13.116 1.00 0.00 H new ATOM 0 HH22 ARG A 28 16.334 -5.756 -14.069 1.00 0.00 H new ATOM 424 N GLY A 29 12.726 -11.319 -7.830 1.00 0.00 N ATOM 425 CA GLY A 29 12.838 -11.773 -6.456 1.00 0.00 C ATOM 426 C GLY A 29 14.025 -11.161 -5.738 1.00 0.00 C ATOM 427 O GLY A 29 14.823 -11.871 -5.129 1.00 0.00 O ATOM 0 H GLY A 29 11.826 -10.906 -8.073 1.00 0.00 H new ATOM 0 HA2 GLY A 29 11.924 -11.523 -5.918 1.00 0.00 H new ATOM 0 HA3 GLY A 29 12.929 -12.859 -6.442 1.00 0.00 H new ATOM 431 N ASN A 30 14.142 -9.839 -5.811 1.00 0.00 N ATOM 432 CA ASN A 30 15.241 -9.132 -5.165 1.00 0.00 C ATOM 433 C ASN A 30 14.720 -8.176 -4.097 1.00 0.00 C ATOM 434 O ASN A 30 15.341 -8.002 -3.048 1.00 0.00 O ATOM 435 CB ASN A 30 16.058 -8.359 -6.203 1.00 0.00 C ATOM 436 CG ASN A 30 17.344 -7.799 -5.626 1.00 0.00 C ATOM 437 OD1 ASN A 30 18.439 -8.214 -6.006 1.00 0.00 O ATOM 438 ND2 ASN A 30 17.216 -6.853 -4.703 1.00 0.00 N ATOM 0 H ASN A 30 13.489 -9.236 -6.311 1.00 0.00 H new ATOM 0 HA ASN A 30 15.882 -9.871 -4.684 1.00 0.00 H new ATOM 0 HB2 ASN A 30 16.294 -9.017 -7.039 1.00 0.00 H new ATOM 0 HB3 ASN A 30 15.456 -7.542 -6.601 1.00 0.00 H new ATOM 0 HD21 ASN A 30 18.046 -6.439 -4.278 1.00 0.00 H new ATOM 0 HD22 ASN A 30 16.288 -6.540 -4.419 1.00 0.00 H new ATOM 445 N CYS A 31 13.575 -7.560 -4.370 1.00 0.00 N ATOM 446 CA CYS A 31 12.969 -6.622 -3.433 1.00 0.00 C ATOM 447 C CYS A 31 12.801 -7.259 -2.057 1.00 0.00 C ATOM 448 O CYS A 31 12.065 -8.232 -1.897 1.00 0.00 O ATOM 449 CB CYS A 31 11.611 -6.150 -3.958 1.00 0.00 C ATOM 450 SG CYS A 31 11.065 -4.551 -3.277 1.00 0.00 S ATOM 0 H CYS A 31 13.048 -7.694 -5.233 1.00 0.00 H new ATOM 0 HA CYS A 31 13.633 -5.763 -3.337 1.00 0.00 H new ATOM 0 HB2 CYS A 31 11.661 -6.072 -5.044 1.00 0.00 H new ATOM 0 HB3 CYS A 31 10.861 -6.906 -3.726 1.00 0.00 H new ATOM 0 HG CYS A 31 10.629 -3.795 -4.241 1.00 0.00 H new ATOM 455 N ALA A 32 13.489 -6.702 -1.065 1.00 0.00 N ATOM 456 CA ALA A 32 13.415 -7.214 0.297 1.00 0.00 C ATOM 457 C ALA A 32 12.315 -6.513 1.088 1.00 0.00 C ATOM 458 O ALA A 32 11.793 -7.058 2.060 1.00 0.00 O ATOM 459 CB ALA A 32 14.756 -7.049 0.996 1.00 0.00 C ATOM 0 H ALA A 32 14.104 -5.896 -1.180 1.00 0.00 H new ATOM 0 HA ALA A 32 13.171 -8.275 0.247 1.00 0.00 H new ATOM 0 HB1 ALA A 32 14.686 -7.436 2.013 1.00 0.00 H new ATOM 0 HB2 ALA A 32 15.521 -7.600 0.450 1.00 0.00 H new ATOM 0 HB3 ALA A 32 15.023 -5.993 1.027 1.00 0.00 H new ATOM 465 N ARG A 33 11.969 -5.302 0.665 1.00 0.00 N ATOM 466 CA ARG A 33 10.932 -4.526 1.335 1.00 0.00 C ATOM 467 C ARG A 33 9.564 -5.179 1.158 1.00 0.00 C ATOM 468 O ARG A 33 8.637 -4.918 1.923 1.00 0.00 O ATOM 469 CB ARG A 33 10.901 -3.097 0.788 1.00 0.00 C ATOM 470 CG ARG A 33 11.781 -2.130 1.562 1.00 0.00 C ATOM 471 CD ARG A 33 11.638 -0.708 1.042 1.00 0.00 C ATOM 472 NE ARG A 33 12.606 -0.411 -0.010 1.00 0.00 N ATOM 473 CZ ARG A 33 13.866 -0.066 0.227 1.00 0.00 C ATOM 474 NH1 ARG A 33 14.309 0.024 1.474 1.00 0.00 N ATOM 475 NH2 ARG A 33 14.688 0.189 -0.783 1.00 0.00 N ATOM 0 H ARG A 33 12.391 -4.837 -0.138 1.00 0.00 H new ATOM 0 HA ARG A 33 11.166 -4.496 2.399 1.00 0.00 H new ATOM 0 HB2 ARG A 33 11.218 -3.109 -0.255 1.00 0.00 H new ATOM 0 HB3 ARG A 33 9.874 -2.733 0.804 1.00 0.00 H new ATOM 0 HG2 ARG A 33 11.515 -2.161 2.619 1.00 0.00 H new ATOM 0 HG3 ARG A 33 12.822 -2.443 1.486 1.00 0.00 H new ATOM 0 HD2 ARG A 33 10.629 -0.562 0.658 1.00 0.00 H new ATOM 0 HD3 ARG A 33 11.770 -0.006 1.865 1.00 0.00 H new ATOM 0 HE ARG A 33 12.297 -0.472 -0.980 1.00 0.00 H new ATOM 0 HH11 ARG A 33 13.681 -0.172 2.254 1.00 0.00 H new ATOM 0 HH12 ARG A 33 15.277 0.289 1.653 1.00 0.00 H new ATOM 0 HH21 ARG A 33 14.352 0.120 -1.744 1.00 0.00 H new ATOM 0 HH22 ARG A 33 15.656 0.454 -0.599 1.00 0.00 H new ATOM 489 N GLY A 34 9.447 -6.031 0.144 1.00 0.00 N ATOM 490 CA GLY A 34 8.190 -6.708 -0.115 1.00 0.00 C ATOM 491 C GLY A 34 7.037 -5.741 -0.295 1.00 0.00 C ATOM 492 O GLY A 34 7.174 -4.547 -0.030 1.00 0.00 O ATOM 0 H GLY A 34 10.200 -6.264 -0.503 1.00 0.00 H new ATOM 0 HA2 GLY A 34 8.289 -7.321 -1.011 1.00 0.00 H new ATOM 0 HA3 GLY A 34 7.968 -7.384 0.711 1.00 0.00 H new ATOM 496 N GLU A 35 5.899 -6.257 -0.748 1.00 0.00 N ATOM 497 CA GLU A 35 4.719 -5.429 -0.965 1.00 0.00 C ATOM 498 C GLU A 35 4.272 -4.766 0.334 1.00 0.00 C ATOM 499 O GLU A 35 3.403 -3.894 0.334 1.00 0.00 O ATOM 500 CB GLU A 35 3.577 -6.270 -1.541 1.00 0.00 C ATOM 501 CG GLU A 35 3.461 -7.649 -0.913 1.00 0.00 C ATOM 502 CD GLU A 35 2.045 -8.189 -0.949 1.00 0.00 C ATOM 503 OE1 GLU A 35 1.099 -7.378 -0.856 1.00 0.00 O ATOM 504 OE2 GLU A 35 1.881 -9.421 -1.069 1.00 0.00 O ATOM 0 H GLU A 35 5.769 -7.244 -0.972 1.00 0.00 H new ATOM 0 HA GLU A 35 4.982 -4.648 -1.679 1.00 0.00 H new ATOM 0 HB2 GLU A 35 2.637 -5.736 -1.401 1.00 0.00 H new ATOM 0 HB3 GLU A 35 3.724 -6.380 -2.615 1.00 0.00 H new ATOM 0 HG2 GLU A 35 4.123 -8.339 -1.436 1.00 0.00 H new ATOM 0 HG3 GLU A 35 3.802 -7.603 0.121 1.00 0.00 H new ATOM 511 N THR A 36 4.873 -5.187 1.443 1.00 0.00 N ATOM 512 CA THR A 36 4.537 -4.637 2.751 1.00 0.00 C ATOM 513 C THR A 36 5.319 -3.358 3.027 1.00 0.00 C ATOM 514 O THR A 36 4.740 -2.279 3.152 1.00 0.00 O ATOM 515 CB THR A 36 4.818 -5.651 3.876 1.00 0.00 C ATOM 516 OG1 THR A 36 6.166 -6.126 3.781 1.00 0.00 O ATOM 517 CG2 THR A 36 3.854 -6.825 3.800 1.00 0.00 C ATOM 0 H THR A 36 5.595 -5.907 1.461 1.00 0.00 H new ATOM 0 HA THR A 36 3.471 -4.411 2.734 1.00 0.00 H new ATOM 0 HB THR A 36 4.677 -5.148 4.833 1.00 0.00 H new ATOM 0 HG1 THR A 36 6.338 -6.769 4.500 1.00 0.00 H new ATOM 0 HG21 THR A 36 4.072 -7.528 4.604 1.00 0.00 H new ATOM 0 HG22 THR A 36 2.831 -6.463 3.902 1.00 0.00 H new ATOM 0 HG23 THR A 36 3.967 -7.327 2.839 1.00 0.00 H new ATOM 525 N ASP A 37 6.638 -3.486 3.119 1.00 0.00 N ATOM 526 CA ASP A 37 7.501 -2.339 3.379 1.00 0.00 C ATOM 527 C ASP A 37 7.772 -1.561 2.095 1.00 0.00 C ATOM 528 O ASP A 37 8.429 -0.520 2.114 1.00 0.00 O ATOM 529 CB ASP A 37 8.821 -2.797 4.000 1.00 0.00 C ATOM 530 CG ASP A 37 9.485 -1.708 4.819 1.00 0.00 C ATOM 531 OD1 ASP A 37 10.250 -0.910 4.237 1.00 0.00 O ATOM 532 OD2 ASP A 37 9.238 -1.651 6.042 1.00 0.00 O ATOM 0 H ASP A 37 7.133 -4.372 3.017 1.00 0.00 H new ATOM 0 HA ASP A 37 6.988 -1.681 4.080 1.00 0.00 H new ATOM 0 HB2 ASP A 37 8.639 -3.664 4.634 1.00 0.00 H new ATOM 0 HB3 ASP A 37 9.499 -3.117 3.209 1.00 0.00 H new ATOM 537 N CYS A 38 7.262 -2.074 0.980 1.00 0.00 N ATOM 538 CA CYS A 38 7.449 -1.429 -0.314 1.00 0.00 C ATOM 539 C CYS A 38 6.155 -0.775 -0.789 1.00 0.00 C ATOM 540 O CYS A 38 5.071 -1.341 -0.642 1.00 0.00 O ATOM 541 CB CYS A 38 7.929 -2.448 -1.350 1.00 0.00 C ATOM 542 SG CYS A 38 8.680 -1.703 -2.833 1.00 0.00 S ATOM 0 H CYS A 38 6.716 -2.935 0.947 1.00 0.00 H new ATOM 0 HA CYS A 38 8.206 -0.653 -0.199 1.00 0.00 H new ATOM 0 HB2 CYS A 38 8.656 -3.111 -0.882 1.00 0.00 H new ATOM 0 HB3 CYS A 38 7.084 -3.066 -1.655 1.00 0.00 H new ATOM 0 HG CYS A 38 9.699 -2.417 -3.209 1.00 0.00 H new ATOM 547 N ARG A 39 6.276 0.419 -1.358 1.00 0.00 N ATOM 548 CA ARG A 39 5.116 1.151 -1.853 1.00 0.00 C ATOM 549 C ARG A 39 4.609 0.547 -3.160 1.00 0.00 C ATOM 550 O ARG A 39 3.404 0.390 -3.357 1.00 0.00 O ATOM 551 CB ARG A 39 5.468 2.625 -2.064 1.00 0.00 C ATOM 552 CG ARG A 39 5.939 3.325 -0.799 1.00 0.00 C ATOM 553 CD ARG A 39 7.453 3.273 -0.665 1.00 0.00 C ATOM 554 NE ARG A 39 7.944 4.196 0.355 1.00 0.00 N ATOM 555 CZ ARG A 39 8.017 3.892 1.646 1.00 0.00 C ATOM 556 NH1 ARG A 39 7.634 2.697 2.072 1.00 0.00 N ATOM 557 NH2 ARG A 39 8.475 4.786 2.514 1.00 0.00 N ATOM 0 H ARG A 39 7.166 0.901 -1.488 1.00 0.00 H new ATOM 0 HA ARG A 39 4.325 1.076 -1.106 1.00 0.00 H new ATOM 0 HB2 ARG A 39 6.248 2.699 -2.822 1.00 0.00 H new ATOM 0 HB3 ARG A 39 4.594 3.147 -2.454 1.00 0.00 H new ATOM 0 HG2 ARG A 39 5.609 4.364 -0.812 1.00 0.00 H new ATOM 0 HG3 ARG A 39 5.479 2.856 0.071 1.00 0.00 H new ATOM 0 HD2 ARG A 39 7.760 2.258 -0.413 1.00 0.00 H new ATOM 0 HD3 ARG A 39 7.910 3.516 -1.624 1.00 0.00 H new ATOM 0 HE ARG A 39 8.247 5.124 0.060 1.00 0.00 H new ATOM 0 HH11 ARG A 39 7.282 2.008 1.408 1.00 0.00 H new ATOM 0 HH12 ARG A 39 7.691 2.467 3.064 1.00 0.00 H new ATOM 0 HH21 ARG A 39 8.771 5.707 2.190 1.00 0.00 H new ATOM 0 HH22 ARG A 39 8.531 4.552 3.505 1.00 0.00 H new ATOM 571 N PHE A 40 5.538 0.209 -4.049 1.00 0.00 N ATOM 572 CA PHE A 40 5.185 -0.376 -5.337 1.00 0.00 C ATOM 573 C PHE A 40 4.494 -1.724 -5.151 1.00 0.00 C ATOM 574 O PHE A 40 4.914 -2.541 -4.332 1.00 0.00 O ATOM 575 CB PHE A 40 6.435 -0.546 -6.203 1.00 0.00 C ATOM 576 CG PHE A 40 7.199 0.730 -6.410 1.00 0.00 C ATOM 577 CD1 PHE A 40 8.133 1.153 -5.478 1.00 0.00 C ATOM 578 CD2 PHE A 40 6.983 1.507 -7.537 1.00 0.00 C ATOM 579 CE1 PHE A 40 8.837 2.327 -5.667 1.00 0.00 C ATOM 580 CE2 PHE A 40 7.684 2.682 -7.731 1.00 0.00 C ATOM 581 CZ PHE A 40 8.613 3.092 -6.794 1.00 0.00 C ATOM 0 H PHE A 40 6.540 0.330 -3.901 1.00 0.00 H new ATOM 0 HA PHE A 40 4.493 0.301 -5.838 1.00 0.00 H new ATOM 0 HB2 PHE A 40 7.092 -1.282 -5.739 1.00 0.00 H new ATOM 0 HB3 PHE A 40 6.143 -0.947 -7.174 1.00 0.00 H new ATOM 0 HD1 PHE A 40 8.313 0.559 -4.594 1.00 0.00 H new ATOM 0 HD2 PHE A 40 6.258 1.190 -8.272 1.00 0.00 H new ATOM 0 HE1 PHE A 40 9.562 2.646 -4.933 1.00 0.00 H new ATOM 0 HE2 PHE A 40 7.506 3.279 -8.613 1.00 0.00 H new ATOM 0 HZ PHE A 40 9.163 4.009 -6.943 1.00 0.00 H new ATOM 591 N ALA A 41 3.432 -1.948 -5.917 1.00 0.00 N ATOM 592 CA ALA A 41 2.683 -3.197 -5.839 1.00 0.00 C ATOM 593 C ALA A 41 3.482 -4.354 -6.429 1.00 0.00 C ATOM 594 O ALA A 41 4.081 -4.227 -7.498 1.00 0.00 O ATOM 595 CB ALA A 41 1.347 -3.056 -6.552 1.00 0.00 C ATOM 0 H ALA A 41 3.070 -1.281 -6.599 1.00 0.00 H new ATOM 0 HA ALA A 41 2.499 -3.417 -4.787 1.00 0.00 H new ATOM 0 HB1 ALA A 41 0.798 -3.996 -6.486 1.00 0.00 H new ATOM 0 HB2 ALA A 41 0.766 -2.263 -6.082 1.00 0.00 H new ATOM 0 HB3 ALA A 41 1.518 -2.809 -7.600 1.00 0.00 H new ATOM 601 N HIS A 42 3.487 -5.482 -5.727 1.00 0.00 N ATOM 602 CA HIS A 42 4.212 -6.663 -6.183 1.00 0.00 C ATOM 603 C HIS A 42 3.255 -7.695 -6.772 1.00 0.00 C ATOM 604 O HIS A 42 2.589 -8.441 -6.054 1.00 0.00 O ATOM 605 CB HIS A 42 4.999 -7.282 -5.027 1.00 0.00 C ATOM 606 CG HIS A 42 6.127 -6.423 -4.543 1.00 0.00 C ATOM 607 ND1 HIS A 42 7.190 -6.916 -3.816 1.00 0.00 N ATOM 608 CD2 HIS A 42 6.355 -5.097 -4.688 1.00 0.00 C ATOM 609 CE1 HIS A 42 8.022 -5.930 -3.533 1.00 0.00 C ATOM 610 NE2 HIS A 42 7.539 -4.815 -4.051 1.00 0.00 N ATOM 0 H HIS A 42 2.998 -5.604 -4.840 1.00 0.00 H new ATOM 0 HA HIS A 42 4.908 -6.353 -6.962 1.00 0.00 H new ATOM 0 HB2 HIS A 42 4.319 -7.476 -4.198 1.00 0.00 H new ATOM 0 HB3 HIS A 42 5.397 -8.246 -5.344 1.00 0.00 H new ATOM 0 HD2 HIS A 42 5.724 -4.392 -5.208 1.00 0.00 H new ATOM 0 HE1 HIS A 42 8.941 -6.020 -2.973 1.00 0.00 H new ATOM 0 HE2 HIS A 42 7.974 -3.895 -3.988 1.00 0.00 H new ATOM 618 N PRO A 43 3.183 -7.740 -8.111 1.00 0.00 N ATOM 619 CA PRO A 43 2.311 -8.676 -8.826 1.00 0.00 C ATOM 620 C PRO A 43 2.787 -10.119 -8.706 1.00 0.00 C ATOM 621 O PRO A 43 3.530 -10.611 -9.555 1.00 0.00 O ATOM 622 CB PRO A 43 2.399 -8.203 -10.279 1.00 0.00 C ATOM 623 CG PRO A 43 3.715 -7.512 -10.374 1.00 0.00 C ATOM 624 CD PRO A 43 3.949 -6.880 -9.029 1.00 0.00 C ATOM 0 HA PRO A 43 1.298 -8.677 -8.424 1.00 0.00 H new ATOM 0 HB2 PRO A 43 2.342 -9.042 -10.972 1.00 0.00 H new ATOM 0 HB3 PRO A 43 1.579 -7.529 -10.526 1.00 0.00 H new ATOM 0 HG2 PRO A 43 4.510 -8.217 -10.617 1.00 0.00 H new ATOM 0 HG3 PRO A 43 3.705 -6.759 -11.162 1.00 0.00 H new ATOM 0 HD2 PRO A 43 5.008 -6.861 -8.772 1.00 0.00 H new ATOM 0 HD3 PRO A 43 3.596 -5.849 -9.002 1.00 0.00 H new ATOM 696 N ILE A 49 1.587 -7.831 -15.934 1.00 0.00 N ATOM 697 CA ILE A 49 2.438 -6.648 -15.969 1.00 0.00 C ATOM 698 C ILE A 49 2.598 -6.129 -17.394 1.00 0.00 C ATOM 699 O ILE A 49 2.524 -6.893 -18.356 1.00 0.00 O ATOM 700 CB ILE A 49 3.831 -6.940 -15.381 1.00 0.00 C ATOM 701 CG1 ILE A 49 3.708 -7.421 -13.934 1.00 0.00 C ATOM 702 CG2 ILE A 49 4.710 -5.700 -15.460 1.00 0.00 C ATOM 703 CD1 ILE A 49 4.853 -8.304 -13.491 1.00 0.00 C ATOM 0 HA ILE A 49 1.948 -5.888 -15.361 1.00 0.00 H new ATOM 0 HB ILE A 49 4.298 -7.731 -15.968 1.00 0.00 H new ATOM 0 HG12 ILE A 49 3.652 -6.554 -13.275 1.00 0.00 H new ATOM 0 HG13 ILE A 49 2.772 -7.969 -13.820 1.00 0.00 H new ATOM 0 HG21 ILE A 49 5.691 -5.922 -15.041 1.00 0.00 H new ATOM 0 HG22 ILE A 49 4.820 -5.398 -16.502 1.00 0.00 H new ATOM 0 HG23 ILE A 49 4.249 -4.890 -14.895 1.00 0.00 H new ATOM 0 HD11 ILE A 49 4.699 -8.607 -12.455 1.00 0.00 H new ATOM 0 HD12 ILE A 49 4.896 -9.189 -14.126 1.00 0.00 H new ATOM 0 HD13 ILE A 49 5.790 -7.753 -13.572 1.00 0.00 H new ATOM 715 N ASP A 50 2.820 -4.825 -17.520 1.00 0.00 N ATOM 716 CA ASP A 50 2.994 -4.202 -18.827 1.00 0.00 C ATOM 717 C ASP A 50 4.424 -3.705 -19.006 1.00 0.00 C ATOM 718 O ASP A 50 4.894 -2.846 -18.258 1.00 0.00 O ATOM 719 CB ASP A 50 2.012 -3.042 -18.998 1.00 0.00 C ATOM 720 CG ASP A 50 0.696 -3.482 -19.608 1.00 0.00 C ATOM 721 OD1 ASP A 50 -0.021 -4.276 -18.963 1.00 0.00 O ATOM 722 OD2 ASP A 50 0.382 -3.032 -20.729 1.00 0.00 O ATOM 0 H ASP A 50 2.884 -4.179 -16.733 1.00 0.00 H new ATOM 0 HA ASP A 50 2.792 -4.954 -19.590 1.00 0.00 H new ATOM 0 HB2 ASP A 50 1.824 -2.583 -18.027 1.00 0.00 H new ATOM 0 HB3 ASP A 50 2.464 -2.277 -19.630 1.00 0.00 H new ATOM 727 N THR A 51 5.115 -4.250 -20.003 1.00 0.00 N ATOM 728 CA THR A 51 6.493 -3.864 -20.279 1.00 0.00 C ATOM 729 C THR A 51 6.558 -2.490 -20.936 1.00 0.00 C ATOM 730 O THR A 51 7.637 -2.005 -21.277 1.00 0.00 O ATOM 731 CB THR A 51 7.192 -4.890 -21.191 1.00 0.00 C ATOM 732 OG1 THR A 51 6.505 -4.981 -22.443 1.00 0.00 O ATOM 733 CG2 THR A 51 7.236 -6.260 -20.530 1.00 0.00 C ATOM 0 H THR A 51 4.742 -4.960 -20.633 1.00 0.00 H new ATOM 0 HA THR A 51 7.010 -3.830 -19.320 1.00 0.00 H new ATOM 0 HB THR A 51 8.215 -4.553 -21.362 1.00 0.00 H new ATOM 0 HG1 THR A 51 6.957 -5.634 -23.017 1.00 0.00 H new ATOM 0 HG21 THR A 51 7.734 -6.968 -21.193 1.00 0.00 H new ATOM 0 HG22 THR A 51 7.786 -6.193 -19.591 1.00 0.00 H new ATOM 0 HG23 THR A 51 6.220 -6.601 -20.332 1.00 0.00 H new ATOM 741 N SER A 52 5.397 -1.867 -21.110 1.00 0.00 N ATOM 742 CA SER A 52 5.322 -0.549 -21.729 1.00 0.00 C ATOM 743 C SER A 52 5.319 0.549 -20.670 1.00 0.00 C ATOM 744 O SER A 52 5.992 1.570 -20.817 1.00 0.00 O ATOM 745 CB SER A 52 4.066 -0.441 -22.596 1.00 0.00 C ATOM 746 OG SER A 52 4.239 0.516 -23.627 1.00 0.00 O ATOM 0 H SER A 52 4.495 -2.254 -20.831 1.00 0.00 H new ATOM 0 HA SER A 52 6.202 -0.419 -22.359 1.00 0.00 H new ATOM 0 HB2 SER A 52 3.837 -1.413 -23.033 1.00 0.00 H new ATOM 0 HB3 SER A 52 3.215 -0.162 -21.975 1.00 0.00 H new ATOM 0 HG SER A 52 3.423 0.565 -24.168 1.00 0.00 H new ATOM 752 N ASP A 53 4.557 0.332 -19.604 1.00 0.00 N ATOM 753 CA ASP A 53 4.467 1.302 -18.519 1.00 0.00 C ATOM 754 C ASP A 53 4.808 0.654 -17.181 1.00 0.00 C ATOM 755 O ASP A 53 5.205 1.333 -16.235 1.00 0.00 O ATOM 756 CB ASP A 53 3.063 1.908 -18.463 1.00 0.00 C ATOM 757 CG ASP A 53 2.790 2.845 -19.623 1.00 0.00 C ATOM 758 OD1 ASP A 53 3.728 3.550 -20.049 1.00 0.00 O ATOM 759 OD2 ASP A 53 1.638 2.873 -20.105 1.00 0.00 O ATOM 0 H ASP A 53 3.993 -0.507 -19.468 1.00 0.00 H new ATOM 0 HA ASP A 53 5.189 2.095 -18.713 1.00 0.00 H new ATOM 0 HB2 ASP A 53 2.324 1.107 -18.466 1.00 0.00 H new ATOM 0 HB3 ASP A 53 2.942 2.450 -17.525 1.00 0.00 H new ATOM 764 N ASN A 54 4.649 -0.663 -17.109 1.00 0.00 N ATOM 765 CA ASN A 54 4.939 -1.403 -15.886 1.00 0.00 C ATOM 766 C ASN A 54 4.010 -0.971 -14.756 1.00 0.00 C ATOM 767 O ASN A 54 4.426 -0.859 -13.603 1.00 0.00 O ATOM 768 CB ASN A 54 6.397 -1.192 -15.472 1.00 0.00 C ATOM 769 CG ASN A 54 6.946 -2.360 -14.675 1.00 0.00 C ATOM 770 OD1 ASN A 54 6.606 -3.515 -14.932 1.00 0.00 O ATOM 771 ND2 ASN A 54 7.800 -2.063 -13.703 1.00 0.00 N ATOM 0 H ASN A 54 4.321 -1.240 -17.883 1.00 0.00 H new ATOM 0 HA ASN A 54 4.774 -2.462 -16.083 1.00 0.00 H new ATOM 0 HB2 ASN A 54 7.007 -1.045 -16.363 1.00 0.00 H new ATOM 0 HB3 ASN A 54 6.475 -0.281 -14.878 1.00 0.00 H new ATOM 0 HD21 ASN A 54 8.203 -2.807 -13.133 1.00 0.00 H new ATOM 0 HD22 ASN A 54 8.053 -1.091 -13.526 1.00 0.00 H new ATOM 778 N THR A 55 2.747 -0.729 -15.095 1.00 0.00 N ATOM 779 CA THR A 55 1.758 -0.309 -14.110 1.00 0.00 C ATOM 780 C THR A 55 0.521 -1.199 -14.159 1.00 0.00 C ATOM 781 O THR A 55 0.105 -1.642 -15.230 1.00 0.00 O ATOM 782 CB THR A 55 1.333 1.155 -14.330 1.00 0.00 C ATOM 783 OG1 THR A 55 0.883 1.337 -15.677 1.00 0.00 O ATOM 784 CG2 THR A 55 2.488 2.102 -14.043 1.00 0.00 C ATOM 0 H THR A 55 2.385 -0.817 -16.045 1.00 0.00 H new ATOM 0 HA THR A 55 2.228 -0.400 -13.131 1.00 0.00 H new ATOM 0 HB THR A 55 0.519 1.382 -13.642 1.00 0.00 H new ATOM 0 HG1 THR A 55 0.613 2.270 -15.808 1.00 0.00 H new ATOM 0 HG21 THR A 55 2.164 3.130 -14.205 1.00 0.00 H new ATOM 0 HG22 THR A 55 2.809 1.981 -13.008 1.00 0.00 H new ATOM 0 HG23 THR A 55 3.320 1.874 -14.710 1.00 0.00 H new ATOM 792 N VAL A 56 -0.064 -1.456 -12.994 1.00 0.00 N ATOM 793 CA VAL A 56 -1.255 -2.291 -12.904 1.00 0.00 C ATOM 794 C VAL A 56 -2.459 -1.483 -12.432 1.00 0.00 C ATOM 795 O VAL A 56 -2.356 -0.677 -11.507 1.00 0.00 O ATOM 796 CB VAL A 56 -1.039 -3.477 -11.946 1.00 0.00 C ATOM 797 CG1 VAL A 56 -0.042 -4.464 -12.533 1.00 0.00 C ATOM 798 CG2 VAL A 56 -0.573 -2.983 -10.584 1.00 0.00 C ATOM 0 H VAL A 56 0.268 -1.097 -12.099 1.00 0.00 H new ATOM 0 HA VAL A 56 -1.448 -2.674 -13.906 1.00 0.00 H new ATOM 0 HB VAL A 56 -1.990 -3.993 -11.815 1.00 0.00 H new ATOM 0 HG11 VAL A 56 0.097 -5.295 -11.842 1.00 0.00 H new ATOM 0 HG12 VAL A 56 -0.420 -4.842 -13.483 1.00 0.00 H new ATOM 0 HG13 VAL A 56 0.913 -3.964 -12.696 1.00 0.00 H new ATOM 0 HG21 VAL A 56 -0.425 -3.834 -9.919 1.00 0.00 H new ATOM 0 HG22 VAL A 56 0.367 -2.442 -10.695 1.00 0.00 H new ATOM 0 HG23 VAL A 56 -1.326 -2.319 -10.161 1.00 0.00 H new ATOM 808 N THR A 57 -3.602 -1.705 -13.073 1.00 0.00 N ATOM 809 CA THR A 57 -4.826 -0.997 -12.719 1.00 0.00 C ATOM 810 C THR A 57 -5.284 -1.360 -11.311 1.00 0.00 C ATOM 811 O THR A 57 -4.935 -2.418 -10.787 1.00 0.00 O ATOM 812 CB THR A 57 -5.962 -1.310 -13.712 1.00 0.00 C ATOM 813 OG1 THR A 57 -5.868 -2.669 -14.153 1.00 0.00 O ATOM 814 CG2 THR A 57 -5.904 -0.377 -14.912 1.00 0.00 C ATOM 0 H THR A 57 -3.706 -2.369 -13.840 1.00 0.00 H new ATOM 0 HA THR A 57 -4.599 0.068 -12.761 1.00 0.00 H new ATOM 0 HB THR A 57 -6.913 -1.160 -13.200 1.00 0.00 H new ATOM 0 HG1 THR A 57 -6.595 -2.860 -14.782 1.00 0.00 H new ATOM 0 HG21 THR A 57 -6.715 -0.617 -15.599 1.00 0.00 H new ATOM 0 HG22 THR A 57 -6.006 0.655 -14.576 1.00 0.00 H new ATOM 0 HG23 THR A 57 -4.949 -0.499 -15.422 1.00 0.00 H new ATOM 822 N VAL A 58 -6.067 -0.475 -10.702 1.00 0.00 N ATOM 823 CA VAL A 58 -6.573 -0.703 -9.354 1.00 0.00 C ATOM 824 C VAL A 58 -8.089 -0.869 -9.357 1.00 0.00 C ATOM 825 O VAL A 58 -8.808 -0.095 -9.991 1.00 0.00 O ATOM 826 CB VAL A 58 -6.197 0.455 -8.410 1.00 0.00 C ATOM 827 CG1 VAL A 58 -6.767 0.216 -7.020 1.00 0.00 C ATOM 828 CG2 VAL A 58 -4.687 0.626 -8.354 1.00 0.00 C ATOM 0 H VAL A 58 -6.364 0.406 -11.121 1.00 0.00 H new ATOM 0 HA VAL A 58 -6.110 -1.621 -8.993 1.00 0.00 H new ATOM 0 HB VAL A 58 -6.630 1.376 -8.801 1.00 0.00 H new ATOM 0 HG11 VAL A 58 -6.492 1.044 -6.367 1.00 0.00 H new ATOM 0 HG12 VAL A 58 -7.853 0.146 -7.079 1.00 0.00 H new ATOM 0 HG13 VAL A 58 -6.365 -0.714 -6.617 1.00 0.00 H new ATOM 0 HG21 VAL A 58 -4.439 1.448 -7.683 1.00 0.00 H new ATOM 0 HG22 VAL A 58 -4.230 -0.293 -7.987 1.00 0.00 H new ATOM 0 HG23 VAL A 58 -4.308 0.846 -9.352 1.00 0.00 H new ATOM 838 N CYS A 59 -8.569 -1.883 -8.646 1.00 0.00 N ATOM 839 CA CYS A 59 -9.999 -2.152 -8.566 1.00 0.00 C ATOM 840 C CYS A 59 -10.689 -1.156 -7.638 1.00 0.00 C ATOM 841 O CYS A 59 -10.629 -1.286 -6.416 1.00 0.00 O ATOM 842 CB CYS A 59 -10.244 -3.580 -8.072 1.00 0.00 C ATOM 843 SG CYS A 59 -11.998 -4.074 -8.065 1.00 0.00 S ATOM 0 H CYS A 59 -7.988 -2.533 -8.116 1.00 0.00 H new ATOM 0 HA CYS A 59 -10.420 -2.043 -9.565 1.00 0.00 H new ATOM 0 HB2 CYS A 59 -9.685 -4.272 -8.702 1.00 0.00 H new ATOM 0 HB3 CYS A 59 -9.846 -3.677 -7.062 1.00 0.00 H new ATOM 0 HG CYS A 59 -12.116 -5.247 -7.518 1.00 0.00 H new ATOM 848 N MET A 60 -11.345 -0.163 -8.229 1.00 0.00 N ATOM 849 CA MET A 60 -12.048 0.855 -7.455 1.00 0.00 C ATOM 850 C MET A 60 -12.920 0.214 -6.381 1.00 0.00 C ATOM 851 O MET A 60 -12.769 0.500 -5.193 1.00 0.00 O ATOM 852 CB MET A 60 -12.907 1.723 -8.377 1.00 0.00 C ATOM 853 CG MET A 60 -13.090 3.146 -7.874 1.00 0.00 C ATOM 854 SD MET A 60 -11.689 4.208 -8.272 1.00 0.00 S ATOM 855 CE MET A 60 -10.641 3.936 -6.844 1.00 0.00 C ATOM 0 H MET A 60 -11.405 -0.041 -9.240 1.00 0.00 H new ATOM 0 HA MET A 60 -11.304 1.484 -6.966 1.00 0.00 H new ATOM 0 HB2 MET A 60 -12.449 1.752 -9.366 1.00 0.00 H new ATOM 0 HB3 MET A 60 -13.886 1.258 -8.492 1.00 0.00 H new ATOM 0 HG2 MET A 60 -13.996 3.568 -8.310 1.00 0.00 H new ATOM 0 HG3 MET A 60 -13.233 3.130 -6.794 1.00 0.00 H new ATOM 0 HE1 MET A 60 -10.119 4.860 -6.595 1.00 0.00 H new ATOM 0 HE2 MET A 60 -11.253 3.626 -5.997 1.00 0.00 H new ATOM 0 HE3 MET A 60 -9.913 3.157 -7.070 1.00 0.00 H new ATOM 865 N ASP A 61 -13.834 -0.652 -6.806 1.00 0.00 N ATOM 866 CA ASP A 61 -14.731 -1.333 -5.879 1.00 0.00 C ATOM 867 C ASP A 61 -13.954 -1.927 -4.708 1.00 0.00 C ATOM 868 O ASP A 61 -14.201 -1.588 -3.551 1.00 0.00 O ATOM 869 CB ASP A 61 -15.506 -2.434 -6.604 1.00 0.00 C ATOM 870 CG ASP A 61 -16.876 -2.672 -5.998 1.00 0.00 C ATOM 871 OD1 ASP A 61 -17.302 -1.854 -5.158 1.00 0.00 O ATOM 872 OD2 ASP A 61 -17.520 -3.678 -6.365 1.00 0.00 O ATOM 0 H ASP A 61 -13.973 -0.899 -7.786 1.00 0.00 H new ATOM 0 HA ASP A 61 -15.436 -0.599 -5.488 1.00 0.00 H new ATOM 0 HB2 ASP A 61 -15.618 -2.164 -7.654 1.00 0.00 H new ATOM 0 HB3 ASP A 61 -14.932 -3.360 -6.572 1.00 0.00 H new ATOM 877 N TYR A 62 -13.014 -2.813 -5.017 1.00 0.00 N ATOM 878 CA TYR A 62 -12.203 -3.457 -3.990 1.00 0.00 C ATOM 879 C TYR A 62 -11.833 -2.468 -2.889 1.00 0.00 C ATOM 880 O TYR A 62 -12.014 -2.746 -1.704 1.00 0.00 O ATOM 881 CB TYR A 62 -10.935 -4.048 -4.609 1.00 0.00 C ATOM 882 CG TYR A 62 -9.975 -4.619 -3.590 1.00 0.00 C ATOM 883 CD1 TYR A 62 -10.388 -5.585 -2.681 1.00 0.00 C ATOM 884 CD2 TYR A 62 -8.653 -4.193 -3.537 1.00 0.00 C ATOM 885 CE1 TYR A 62 -9.514 -6.109 -1.749 1.00 0.00 C ATOM 886 CE2 TYR A 62 -7.772 -4.712 -2.609 1.00 0.00 C ATOM 887 CZ TYR A 62 -8.207 -5.670 -1.717 1.00 0.00 C ATOM 888 OH TYR A 62 -7.333 -6.190 -0.790 1.00 0.00 O ATOM 0 H TYR A 62 -12.795 -3.102 -5.970 1.00 0.00 H new ATOM 0 HA TYR A 62 -12.792 -4.261 -3.548 1.00 0.00 H new ATOM 0 HB2 TYR A 62 -11.215 -4.833 -5.312 1.00 0.00 H new ATOM 0 HB3 TYR A 62 -10.425 -3.274 -5.182 1.00 0.00 H new ATOM 0 HD1 TYR A 62 -11.410 -5.932 -2.704 1.00 0.00 H new ATOM 0 HD2 TYR A 62 -8.309 -3.443 -4.234 1.00 0.00 H new ATOM 0 HE1 TYR A 62 -9.852 -6.859 -1.049 1.00 0.00 H new ATOM 0 HE2 TYR A 62 -6.748 -4.370 -2.582 1.00 0.00 H new ATOM 0 HH TYR A 62 -6.448 -5.787 -0.912 1.00 0.00 H new ATOM 898 N ILE A 63 -11.315 -1.312 -3.291 1.00 0.00 N ATOM 899 CA ILE A 63 -10.921 -0.281 -2.340 1.00 0.00 C ATOM 900 C ILE A 63 -12.015 -0.040 -1.306 1.00 0.00 C ATOM 901 O ILE A 63 -11.741 0.074 -0.110 1.00 0.00 O ATOM 902 CB ILE A 63 -10.600 1.047 -3.051 1.00 0.00 C ATOM 903 CG1 ILE A 63 -9.412 0.870 -3.998 1.00 0.00 C ATOM 904 CG2 ILE A 63 -10.313 2.138 -2.030 1.00 0.00 C ATOM 905 CD1 ILE A 63 -8.222 0.192 -3.355 1.00 0.00 C ATOM 0 H ILE A 63 -11.159 -1.066 -4.269 1.00 0.00 H new ATOM 0 HA ILE A 63 -10.023 -0.641 -1.838 1.00 0.00 H new ATOM 0 HB ILE A 63 -11.467 1.346 -3.639 1.00 0.00 H new ATOM 0 HG12 ILE A 63 -9.730 0.286 -4.861 1.00 0.00 H new ATOM 0 HG13 ILE A 63 -9.106 1.848 -4.370 1.00 0.00 H new ATOM 0 HG21 ILE A 63 -10.088 3.071 -2.548 1.00 0.00 H new ATOM 0 HG22 ILE A 63 -11.186 2.278 -1.392 1.00 0.00 H new ATOM 0 HG23 ILE A 63 -9.459 1.848 -1.418 1.00 0.00 H new ATOM 0 HD11 ILE A 63 -7.418 0.100 -4.085 1.00 0.00 H new ATOM 0 HD12 ILE A 63 -7.878 0.787 -2.509 1.00 0.00 H new ATOM 0 HD13 ILE A 63 -8.512 -0.800 -3.008 1.00 0.00 H new ATOM 917 N LYS A 64 -13.256 0.036 -1.773 1.00 0.00 N ATOM 918 CA LYS A 64 -14.394 0.261 -0.889 1.00 0.00 C ATOM 919 C LYS A 64 -14.538 -0.881 0.113 1.00 0.00 C ATOM 920 O LYS A 64 -15.084 -0.699 1.201 1.00 0.00 O ATOM 921 CB LYS A 64 -15.681 0.402 -1.706 1.00 0.00 C ATOM 922 CG LYS A 64 -15.656 1.564 -2.683 1.00 0.00 C ATOM 923 CD LYS A 64 -17.057 1.946 -3.131 1.00 0.00 C ATOM 924 CE LYS A 64 -17.706 2.920 -2.160 1.00 0.00 C ATOM 925 NZ LYS A 64 -17.227 4.314 -2.370 1.00 0.00 N ATOM 0 H LYS A 64 -13.500 -0.055 -2.759 1.00 0.00 H new ATOM 0 HA LYS A 64 -14.218 1.185 -0.338 1.00 0.00 H new ATOM 0 HB2 LYS A 64 -15.854 -0.522 -2.258 1.00 0.00 H new ATOM 0 HB3 LYS A 64 -16.522 0.529 -1.024 1.00 0.00 H new ATOM 0 HG2 LYS A 64 -15.176 2.423 -2.215 1.00 0.00 H new ATOM 0 HG3 LYS A 64 -15.055 1.297 -3.552 1.00 0.00 H new ATOM 0 HD2 LYS A 64 -17.013 2.395 -4.123 1.00 0.00 H new ATOM 0 HD3 LYS A 64 -17.671 1.049 -3.213 1.00 0.00 H new ATOM 0 HE2 LYS A 64 -18.789 2.886 -2.281 1.00 0.00 H new ATOM 0 HE3 LYS A 64 -17.489 2.612 -1.137 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 -17.693 4.947 -1.689 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 -16.197 4.352 -2.230 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 -17.456 4.618 -3.338 1.00 0.00 H new ATOM 939 N GLY A 65 -14.044 -2.057 -0.261 1.00 0.00 N ATOM 940 CA GLY A 65 -14.127 -3.210 0.617 1.00 0.00 C ATOM 941 C GLY A 65 -14.951 -4.334 0.021 1.00 0.00 C ATOM 942 O GLY A 65 -14.867 -5.478 0.469 1.00 0.00 O ATOM 0 H GLY A 65 -13.588 -2.232 -1.156 1.00 0.00 H new ATOM 0 HA2 GLY A 65 -13.122 -3.574 0.830 1.00 0.00 H new ATOM 0 HA3 GLY A 65 -14.565 -2.908 1.568 1.00 0.00 H new ATOM 946 N ARG A 66 -15.750 -4.009 -0.989 1.00 0.00 N ATOM 947 CA ARG A 66 -16.595 -5.000 -1.645 1.00 0.00 C ATOM 948 C ARG A 66 -16.412 -4.954 -3.159 1.00 0.00 C ATOM 949 O ARG A 66 -16.879 -4.029 -3.824 1.00 0.00 O ATOM 950 CB ARG A 66 -18.064 -4.762 -1.291 1.00 0.00 C ATOM 951 CG ARG A 66 -18.553 -3.362 -1.624 1.00 0.00 C ATOM 952 CD ARG A 66 -19.795 -3.001 -0.824 1.00 0.00 C ATOM 953 NE ARG A 66 -20.133 -1.586 -0.949 1.00 0.00 N ATOM 954 CZ ARG A 66 -20.842 -0.917 -0.046 1.00 0.00 C ATOM 955 NH1 ARG A 66 -21.285 -1.532 1.042 1.00 0.00 N ATOM 956 NH2 ARG A 66 -21.109 0.369 -0.230 1.00 0.00 N ATOM 0 H ARG A 66 -15.830 -3.067 -1.371 1.00 0.00 H new ATOM 0 HA ARG A 66 -16.297 -5.987 -1.290 1.00 0.00 H new ATOM 0 HB2 ARG A 66 -18.679 -5.488 -1.822 1.00 0.00 H new ATOM 0 HB3 ARG A 66 -18.206 -4.943 -0.226 1.00 0.00 H new ATOM 0 HG2 ARG A 66 -17.763 -2.640 -1.417 1.00 0.00 H new ATOM 0 HG3 ARG A 66 -18.773 -3.296 -2.689 1.00 0.00 H new ATOM 0 HD2 ARG A 66 -20.635 -3.606 -1.165 1.00 0.00 H new ATOM 0 HD3 ARG A 66 -19.633 -3.244 0.226 1.00 0.00 H new ATOM 0 HE ARG A 66 -19.807 -1.084 -1.775 1.00 0.00 H new ATOM 0 HH11 ARG A 66 -21.082 -2.521 1.187 1.00 0.00 H new ATOM 0 HH12 ARG A 66 -21.829 -1.016 1.734 1.00 0.00 H new ATOM 0 HH21 ARG A 66 -20.770 0.846 -1.066 1.00 0.00 H new ATOM 0 HH22 ARG A 66 -21.653 0.881 0.464 1.00 0.00 H new ATOM 970 N CYS A 67 -15.728 -5.958 -3.698 1.00 0.00 N ATOM 971 CA CYS A 67 -15.482 -6.034 -5.132 1.00 0.00 C ATOM 972 C CYS A 67 -16.450 -7.006 -5.800 1.00 0.00 C ATOM 973 O CYS A 67 -16.225 -8.216 -5.807 1.00 0.00 O ATOM 974 CB CYS A 67 -14.040 -6.468 -5.401 1.00 0.00 C ATOM 975 SG CYS A 67 -13.783 -7.223 -7.039 1.00 0.00 S ATOM 0 H CYS A 67 -15.334 -6.731 -3.162 1.00 0.00 H new ATOM 0 HA CYS A 67 -15.641 -5.042 -5.555 1.00 0.00 H new ATOM 0 HB2 CYS A 67 -13.387 -5.600 -5.306 1.00 0.00 H new ATOM 0 HB3 CYS A 67 -13.737 -7.180 -4.633 1.00 0.00 H new ATOM 0 HG CYS A 67 -14.671 -8.153 -7.233 1.00 0.00 H new ATOM 980 N MET A 68 -17.527 -6.467 -6.362 1.00 0.00 N ATOM 981 CA MET A 68 -18.529 -7.287 -7.034 1.00 0.00 C ATOM 982 C MET A 68 -18.232 -7.394 -8.526 1.00 0.00 C ATOM 983 O MET A 68 -18.752 -8.276 -9.210 1.00 0.00 O ATOM 984 CB MET A 68 -19.926 -6.700 -6.821 1.00 0.00 C ATOM 985 CG MET A 68 -20.384 -6.731 -5.372 1.00 0.00 C ATOM 986 SD MET A 68 -20.616 -8.409 -4.753 1.00 0.00 S ATOM 987 CE MET A 68 -20.064 -8.224 -3.060 1.00 0.00 C ATOM 0 H MET A 68 -17.728 -5.467 -6.366 1.00 0.00 H new ATOM 0 HA MET A 68 -18.493 -8.287 -6.602 1.00 0.00 H new ATOM 0 HB2 MET A 68 -19.936 -5.669 -7.174 1.00 0.00 H new ATOM 0 HB3 MET A 68 -20.640 -7.253 -7.431 1.00 0.00 H new ATOM 0 HG2 MET A 68 -19.650 -6.217 -4.752 1.00 0.00 H new ATOM 0 HG3 MET A 68 -21.320 -6.181 -5.279 1.00 0.00 H new ATOM 0 HE1 MET A 68 -20.147 -9.180 -2.544 1.00 0.00 H new ATOM 0 HE2 MET A 68 -19.025 -7.896 -3.050 1.00 0.00 H new ATOM 0 HE3 MET A 68 -20.683 -7.483 -2.554 1.00 0.00 H new ATOM 997 N ARG A 69 -17.393 -6.492 -9.024 1.00 0.00 N ATOM 998 CA ARG A 69 -17.028 -6.485 -10.436 1.00 0.00 C ATOM 999 C ARG A 69 -16.768 -7.902 -10.937 1.00 0.00 C ATOM 1000 O ARG A 69 -15.663 -8.426 -10.800 1.00 0.00 O ATOM 1001 CB ARG A 69 -15.788 -5.618 -10.659 1.00 0.00 C ATOM 1002 CG ARG A 69 -15.997 -4.153 -10.312 1.00 0.00 C ATOM 1003 CD ARG A 69 -15.012 -3.259 -11.048 1.00 0.00 C ATOM 1004 NE ARG A 69 -15.175 -3.342 -12.497 1.00 0.00 N ATOM 1005 CZ ARG A 69 -14.471 -2.616 -13.358 1.00 0.00 C ATOM 1006 NH1 ARG A 69 -13.560 -1.758 -12.918 1.00 0.00 N ATOM 1007 NH2 ARG A 69 -14.676 -2.747 -14.662 1.00 0.00 N ATOM 0 H ARG A 69 -16.953 -5.756 -8.471 1.00 0.00 H new ATOM 0 HA ARG A 69 -17.862 -6.066 -10.999 1.00 0.00 H new ATOM 0 HB2 ARG A 69 -14.968 -6.011 -10.058 1.00 0.00 H new ATOM 0 HB3 ARG A 69 -15.484 -5.695 -11.703 1.00 0.00 H new ATOM 0 HG2 ARG A 69 -17.016 -3.860 -10.566 1.00 0.00 H new ATOM 0 HG3 ARG A 69 -15.884 -4.013 -9.237 1.00 0.00 H new ATOM 0 HD2 ARG A 69 -15.149 -2.227 -10.726 1.00 0.00 H new ATOM 0 HD3 ARG A 69 -13.994 -3.544 -10.781 1.00 0.00 H new ATOM 0 HE ARG A 69 -15.867 -3.993 -12.868 1.00 0.00 H new ATOM 0 HH11 ARG A 69 -13.399 -1.655 -11.916 1.00 0.00 H new ATOM 0 HH12 ARG A 69 -13.021 -1.202 -13.582 1.00 0.00 H new ATOM 0 HH21 ARG A 69 -15.375 -3.406 -15.005 1.00 0.00 H new ATOM 0 HH22 ARG A 69 -14.135 -2.189 -15.322 1.00 0.00 H new ATOM 1021 N GLU A 70 -17.794 -8.517 -11.518 1.00 0.00 N ATOM 1022 CA GLU A 70 -17.676 -9.874 -12.038 1.00 0.00 C ATOM 1023 C GLU A 70 -16.327 -10.079 -12.721 1.00 0.00 C ATOM 1024 O GLU A 70 -15.758 -9.147 -13.290 1.00 0.00 O ATOM 1025 CB GLU A 70 -18.809 -10.166 -13.024 1.00 0.00 C ATOM 1026 CG GLU A 70 -20.035 -10.789 -12.375 1.00 0.00 C ATOM 1027 CD GLU A 70 -20.959 -9.755 -11.762 1.00 0.00 C ATOM 1028 OE1 GLU A 70 -21.822 -9.223 -12.492 1.00 0.00 O ATOM 1029 OE2 GLU A 70 -20.819 -9.477 -10.553 1.00 0.00 O ATOM 0 H GLU A 70 -18.715 -8.097 -11.640 1.00 0.00 H new ATOM 0 HA GLU A 70 -17.748 -10.565 -11.198 1.00 0.00 H new ATOM 0 HB2 GLU A 70 -19.100 -9.238 -13.515 1.00 0.00 H new ATOM 0 HB3 GLU A 70 -18.440 -10.835 -13.801 1.00 0.00 H new ATOM 0 HG2 GLU A 70 -20.584 -11.364 -13.121 1.00 0.00 H new ATOM 0 HG3 GLU A 70 -19.716 -11.489 -11.603 1.00 0.00 H new ATOM 1036 N LYS A 71 -15.821 -11.306 -12.661 1.00 0.00 N ATOM 1037 CA LYS A 71 -14.540 -11.637 -13.274 1.00 0.00 C ATOM 1038 C LYS A 71 -13.570 -10.463 -13.173 1.00 0.00 C ATOM 1039 O LYS A 71 -12.810 -10.192 -14.103 1.00 0.00 O ATOM 1040 CB LYS A 71 -14.738 -12.025 -14.741 1.00 0.00 C ATOM 1041 CG LYS A 71 -15.449 -13.354 -14.927 1.00 0.00 C ATOM 1042 CD LYS A 71 -15.923 -13.536 -16.359 1.00 0.00 C ATOM 1043 CE LYS A 71 -16.881 -14.711 -16.484 1.00 0.00 C ATOM 1044 NZ LYS A 71 -17.199 -15.018 -17.906 1.00 0.00 N ATOM 0 H LYS A 71 -16.279 -12.088 -12.194 1.00 0.00 H new ATOM 0 HA LYS A 71 -14.115 -12.484 -12.735 1.00 0.00 H new ATOM 0 HB2 LYS A 71 -15.310 -11.243 -15.241 1.00 0.00 H new ATOM 0 HB3 LYS A 71 -13.765 -12.071 -15.231 1.00 0.00 H new ATOM 0 HG2 LYS A 71 -14.776 -14.169 -14.659 1.00 0.00 H new ATOM 0 HG3 LYS A 71 -16.302 -13.409 -14.250 1.00 0.00 H new ATOM 0 HD2 LYS A 71 -16.416 -12.625 -16.699 1.00 0.00 H new ATOM 0 HD3 LYS A 71 -15.064 -13.695 -17.010 1.00 0.00 H new ATOM 0 HE2 LYS A 71 -16.441 -15.590 -16.012 1.00 0.00 H new ATOM 0 HE3 LYS A 71 -17.802 -14.487 -15.946 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 -17.854 -15.824 -17.949 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 -17.642 -14.188 -18.350 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 -16.323 -15.256 -18.414 1.00 0.00 H new ATOM 1058 N CYS A 72 -13.601 -9.771 -12.040 1.00 0.00 N ATOM 1059 CA CYS A 72 -12.724 -8.628 -11.817 1.00 0.00 C ATOM 1060 C CYS A 72 -11.278 -8.977 -12.155 1.00 0.00 C ATOM 1061 O CYS A 72 -10.629 -9.742 -11.441 1.00 0.00 O ATOM 1062 CB CYS A 72 -12.821 -8.160 -10.364 1.00 0.00 C ATOM 1063 SG CYS A 72 -11.361 -7.239 -9.780 1.00 0.00 S ATOM 0 H CYS A 72 -14.225 -9.982 -11.261 1.00 0.00 H new ATOM 0 HA CYS A 72 -13.047 -7.821 -12.474 1.00 0.00 H new ATOM 0 HB2 CYS A 72 -13.703 -7.529 -10.255 1.00 0.00 H new ATOM 0 HB3 CYS A 72 -12.970 -9.029 -9.723 1.00 0.00 H new ATOM 0 HG CYS A 72 -11.745 -6.142 -9.196 1.00 0.00 H new ATOM 1068 N LYS A 73 -10.779 -8.412 -13.249 1.00 0.00 N ATOM 1069 CA LYS A 73 -9.409 -8.661 -13.682 1.00 0.00 C ATOM 1070 C LYS A 73 -8.481 -7.539 -13.227 1.00 0.00 C ATOM 1071 O LYS A 73 -7.416 -7.327 -13.807 1.00 0.00 O ATOM 1072 CB LYS A 73 -9.351 -8.798 -15.205 1.00 0.00 C ATOM 1073 CG LYS A 73 -9.835 -7.563 -15.946 1.00 0.00 C ATOM 1074 CD LYS A 73 -8.693 -6.602 -16.232 1.00 0.00 C ATOM 1075 CE LYS A 73 -9.061 -5.609 -17.324 1.00 0.00 C ATOM 1076 NZ LYS A 73 -8.236 -4.371 -17.248 1.00 0.00 N ATOM 0 H LYS A 73 -11.303 -7.778 -13.852 1.00 0.00 H new ATOM 0 HA LYS A 73 -9.074 -9.593 -13.226 1.00 0.00 H new ATOM 0 HB2 LYS A 73 -8.325 -9.011 -15.503 1.00 0.00 H new ATOM 0 HB3 LYS A 73 -9.955 -9.653 -15.508 1.00 0.00 H new ATOM 0 HG2 LYS A 73 -10.305 -7.861 -16.883 1.00 0.00 H new ATOM 0 HG3 LYS A 73 -10.598 -7.057 -15.354 1.00 0.00 H new ATOM 0 HD2 LYS A 73 -8.433 -6.063 -15.321 1.00 0.00 H new ATOM 0 HD3 LYS A 73 -7.809 -7.165 -16.533 1.00 0.00 H new ATOM 0 HE2 LYS A 73 -8.927 -6.076 -18.300 1.00 0.00 H new ATOM 0 HE3 LYS A 73 -10.116 -5.349 -17.238 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 -8.517 -3.719 -18.008 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 -8.383 -3.912 -16.327 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 -7.231 -4.616 -17.356 1.00 0.00 H new ATOM 1090 N TYR A 74 -8.892 -6.824 -12.185 1.00 0.00 N ATOM 1091 CA TYR A 74 -8.098 -5.723 -11.653 1.00 0.00 C ATOM 1092 C TYR A 74 -7.203 -6.199 -10.513 1.00 0.00 C ATOM 1093 O TYR A 74 -7.520 -7.166 -9.820 1.00 0.00 O ATOM 1094 CB TYR A 74 -9.012 -4.598 -11.163 1.00 0.00 C ATOM 1095 CG TYR A 74 -9.511 -3.698 -12.271 1.00 0.00 C ATOM 1096 CD1 TYR A 74 -10.408 -4.168 -13.223 1.00 0.00 C ATOM 1097 CD2 TYR A 74 -9.085 -2.379 -12.367 1.00 0.00 C ATOM 1098 CE1 TYR A 74 -10.866 -3.349 -14.237 1.00 0.00 C ATOM 1099 CE2 TYR A 74 -9.539 -1.553 -13.377 1.00 0.00 C ATOM 1100 CZ TYR A 74 -10.429 -2.043 -14.310 1.00 0.00 C ATOM 1101 OH TYR A 74 -10.883 -1.224 -15.318 1.00 0.00 O ATOM 0 H TYR A 74 -9.770 -6.987 -11.692 1.00 0.00 H new ATOM 0 HA TYR A 74 -7.464 -5.344 -12.455 1.00 0.00 H new ATOM 0 HB2 TYR A 74 -9.868 -5.035 -10.648 1.00 0.00 H new ATOM 0 HB3 TYR A 74 -8.473 -3.996 -10.432 1.00 0.00 H new ATOM 0 HD1 TYR A 74 -10.753 -5.190 -13.169 1.00 0.00 H new ATOM 0 HD2 TYR A 74 -8.387 -1.993 -11.639 1.00 0.00 H new ATOM 0 HE1 TYR A 74 -11.563 -3.730 -14.969 1.00 0.00 H new ATOM 0 HE2 TYR A 74 -9.199 -0.530 -13.436 1.00 0.00 H new ATOM 0 HH TYR A 74 -10.479 -0.336 -15.225 1.00 0.00 H new ATOM 1111 N PHE A 75 -6.081 -5.511 -10.324 1.00 0.00 N ATOM 1112 CA PHE A 75 -5.138 -5.862 -9.268 1.00 0.00 C ATOM 1113 C PHE A 75 -5.657 -5.415 -7.905 1.00 0.00 C ATOM 1114 O PHE A 75 -6.175 -4.307 -7.758 1.00 0.00 O ATOM 1115 CB PHE A 75 -3.774 -5.225 -9.542 1.00 0.00 C ATOM 1116 CG PHE A 75 -2.808 -5.365 -8.401 1.00 0.00 C ATOM 1117 CD1 PHE A 75 -2.000 -6.485 -8.293 1.00 0.00 C ATOM 1118 CD2 PHE A 75 -2.707 -4.375 -7.435 1.00 0.00 C ATOM 1119 CE1 PHE A 75 -1.109 -6.617 -7.244 1.00 0.00 C ATOM 1120 CE2 PHE A 75 -1.818 -4.501 -6.385 1.00 0.00 C ATOM 1121 CZ PHE A 75 -1.019 -5.624 -6.288 1.00 0.00 C ATOM 0 H PHE A 75 -5.803 -4.708 -10.888 1.00 0.00 H new ATOM 0 HA PHE A 75 -5.029 -6.947 -9.257 1.00 0.00 H new ATOM 0 HB2 PHE A 75 -3.341 -5.681 -10.432 1.00 0.00 H new ATOM 0 HB3 PHE A 75 -3.914 -4.167 -9.762 1.00 0.00 H new ATOM 0 HD1 PHE A 75 -2.067 -7.265 -9.037 1.00 0.00 H new ATOM 0 HD2 PHE A 75 -3.330 -3.496 -7.504 1.00 0.00 H new ATOM 0 HE1 PHE A 75 -0.484 -7.495 -7.172 1.00 0.00 H new ATOM 0 HE2 PHE A 75 -1.748 -3.722 -5.640 1.00 0.00 H new ATOM 0 HZ PHE A 75 -0.325 -5.725 -5.466 1.00 0.00 H new ATOM 1131 N HIS A 76 -5.514 -6.285 -6.910 1.00 0.00 N ATOM 1132 CA HIS A 76 -5.968 -5.980 -5.557 1.00 0.00 C ATOM 1133 C HIS A 76 -4.783 -5.724 -4.631 1.00 0.00 C ATOM 1134 O HIS A 76 -4.138 -6.650 -4.138 1.00 0.00 O ATOM 1135 CB HIS A 76 -6.818 -7.128 -5.012 1.00 0.00 C ATOM 1136 CG HIS A 76 -8.247 -7.080 -5.459 1.00 0.00 C ATOM 1137 ND1 HIS A 76 -9.292 -7.548 -4.690 1.00 0.00 N ATOM 1138 CD2 HIS A 76 -8.801 -6.614 -6.602 1.00 0.00 C ATOM 1139 CE1 HIS A 76 -10.427 -7.374 -5.343 1.00 0.00 C ATOM 1140 NE2 HIS A 76 -10.157 -6.809 -6.506 1.00 0.00 N ATOM 0 H HIS A 76 -5.088 -7.206 -7.015 1.00 0.00 H new ATOM 0 HA HIS A 76 -6.575 -5.076 -5.599 1.00 0.00 H new ATOM 0 HB2 HIS A 76 -6.379 -8.075 -5.326 1.00 0.00 H new ATOM 0 HB3 HIS A 76 -6.786 -7.108 -3.923 1.00 0.00 H new ATOM 0 HD1 HIS A 76 -9.202 -7.963 -3.763 1.00 0.00 H new ATOM 0 HD2 HIS A 76 -8.275 -6.171 -7.435 1.00 0.00 H new ATOM 0 HE1 HIS A 76 -11.409 -7.647 -4.986 1.00 0.00 H new ATOM 1148 N PRO A 77 -4.487 -4.439 -4.389 1.00 0.00 N ATOM 1149 CA PRO A 77 -3.378 -4.031 -3.521 1.00 0.00 C ATOM 1150 C PRO A 77 -3.643 -4.348 -2.054 1.00 0.00 C ATOM 1151 O PRO A 77 -4.776 -4.603 -1.644 1.00 0.00 O ATOM 1152 CB PRO A 77 -3.297 -2.518 -3.736 1.00 0.00 C ATOM 1153 CG PRO A 77 -4.670 -2.122 -4.159 1.00 0.00 C ATOM 1154 CD PRO A 77 -5.213 -3.283 -4.944 1.00 0.00 C ATOM 0 HA PRO A 77 -2.456 -4.559 -3.763 1.00 0.00 H new ATOM 0 HB2 PRO A 77 -3.000 -2.003 -2.822 1.00 0.00 H new ATOM 0 HB3 PRO A 77 -2.560 -2.265 -4.498 1.00 0.00 H new ATOM 0 HG2 PRO A 77 -5.298 -1.908 -3.294 1.00 0.00 H new ATOM 0 HG3 PRO A 77 -4.645 -1.218 -4.767 1.00 0.00 H new ATOM 0 HD2 PRO A 77 -6.291 -3.386 -4.816 1.00 0.00 H new ATOM 0 HD3 PRO A 77 -5.028 -3.168 -6.012 1.00 0.00 H new ATOM 1162 N PRO A 78 -2.576 -4.333 -1.242 1.00 0.00 N ATOM 1163 CA PRO A 78 -2.670 -4.615 0.194 1.00 0.00 C ATOM 1164 C PRO A 78 -3.389 -3.509 0.957 1.00 0.00 C ATOM 1165 O PRO A 78 -3.820 -2.516 0.371 1.00 0.00 O ATOM 1166 CB PRO A 78 -1.206 -4.703 0.634 1.00 0.00 C ATOM 1167 CG PRO A 78 -0.462 -3.879 -0.359 1.00 0.00 C ATOM 1168 CD PRO A 78 -1.196 -4.037 -1.662 1.00 0.00 C ATOM 0 HA PRO A 78 -3.246 -5.519 0.395 1.00 0.00 H new ATOM 0 HB2 PRO A 78 -1.073 -4.320 1.646 1.00 0.00 H new ATOM 0 HB3 PRO A 78 -0.854 -5.735 0.635 1.00 0.00 H new ATOM 0 HG2 PRO A 78 -0.431 -2.833 -0.053 1.00 0.00 H new ATOM 0 HG3 PRO A 78 0.571 -4.216 -0.450 1.00 0.00 H new ATOM 0 HD2 PRO A 78 -1.145 -3.130 -2.265 1.00 0.00 H new ATOM 0 HD3 PRO A 78 -0.777 -4.844 -2.264 1.00 0.00 H new ATOM 1176 N ALA A 79 -3.516 -3.686 2.268 1.00 0.00 N ATOM 1177 CA ALA A 79 -4.182 -2.701 3.111 1.00 0.00 C ATOM 1178 C ALA A 79 -3.434 -1.372 3.098 1.00 0.00 C ATOM 1179 O ALA A 79 -3.926 -0.377 2.566 1.00 0.00 O ATOM 1180 CB ALA A 79 -4.308 -3.224 4.535 1.00 0.00 C ATOM 0 H ALA A 79 -3.166 -4.503 2.769 1.00 0.00 H new ATOM 0 HA ALA A 79 -5.180 -2.530 2.708 1.00 0.00 H new ATOM 0 HB1 ALA A 79 -4.807 -2.478 5.154 1.00 0.00 H new ATOM 0 HB2 ALA A 79 -4.892 -4.144 4.534 1.00 0.00 H new ATOM 0 HB3 ALA A 79 -3.315 -3.424 4.938 1.00 0.00 H new ATOM 1186 N HIS A 80 -2.243 -1.363 3.689 1.00 0.00 N ATOM 1187 CA HIS A 80 -1.427 -0.155 3.745 1.00 0.00 C ATOM 1188 C HIS A 80 -1.595 0.673 2.475 1.00 0.00 C ATOM 1189 O HIS A 80 -1.872 1.872 2.535 1.00 0.00 O ATOM 1190 CB HIS A 80 0.045 -0.518 3.941 1.00 0.00 C ATOM 1191 CG HIS A 80 0.596 -1.392 2.856 1.00 0.00 C ATOM 1192 ND1 HIS A 80 0.551 -2.769 2.904 1.00 0.00 N ATOM 1193 CD2 HIS A 80 1.206 -1.077 1.690 1.00 0.00 C ATOM 1194 CE1 HIS A 80 1.110 -3.264 1.814 1.00 0.00 C ATOM 1195 NE2 HIS A 80 1.516 -2.258 1.061 1.00 0.00 N ATOM 0 H HIS A 80 -1.822 -2.178 4.135 1.00 0.00 H new ATOM 0 HA HIS A 80 -1.762 0.442 4.593 1.00 0.00 H new ATOM 0 HB2 HIS A 80 0.633 0.398 3.992 1.00 0.00 H new ATOM 0 HB3 HIS A 80 0.161 -1.025 4.899 1.00 0.00 H new ATOM 0 HD2 HIS A 80 1.411 -0.082 1.322 1.00 0.00 H new ATOM 0 HE1 HIS A 80 1.217 -4.313 1.579 1.00 0.00 H new ATOM 0 HE2 HIS A 80 1.984 -2.344 0.159 1.00 0.00 H new ATOM 1203 N LEU A 81 -1.424 0.028 1.327 1.00 0.00 N ATOM 1204 CA LEU A 81 -1.556 0.705 0.041 1.00 0.00 C ATOM 1205 C LEU A 81 -2.987 1.186 -0.177 1.00 0.00 C ATOM 1206 O LEU A 81 -3.226 2.373 -0.392 1.00 0.00 O ATOM 1207 CB LEU A 81 -1.141 -0.231 -1.096 1.00 0.00 C ATOM 1208 CG LEU A 81 0.338 -0.203 -1.482 1.00 0.00 C ATOM 1209 CD1 LEU A 81 0.647 -1.298 -2.492 1.00 0.00 C ATOM 1210 CD2 LEU A 81 0.718 1.161 -2.038 1.00 0.00 C ATOM 0 H LEU A 81 -1.194 -0.963 1.260 1.00 0.00 H new ATOM 0 HA LEU A 81 -0.897 1.574 0.046 1.00 0.00 H new ATOM 0 HB2 LEU A 81 -1.403 -1.251 -0.814 1.00 0.00 H new ATOM 0 HB3 LEU A 81 -1.731 0.018 -1.978 1.00 0.00 H new ATOM 0 HG LEU A 81 0.931 -0.386 -0.586 1.00 0.00 H new ATOM 0 HD11 LEU A 81 1.704 -1.263 -2.755 1.00 0.00 H new ATOM 0 HD12 LEU A 81 0.413 -2.270 -2.058 1.00 0.00 H new ATOM 0 HD13 LEU A 81 0.045 -1.147 -3.388 1.00 0.00 H new ATOM 0 HD21 LEU A 81 1.774 1.163 -2.307 1.00 0.00 H new ATOM 0 HD22 LEU A 81 0.117 1.374 -2.922 1.00 0.00 H new ATOM 0 HD23 LEU A 81 0.535 1.926 -1.283 1.00 0.00 H new ATOM 1222 N GLN A 82 -3.934 0.255 -0.118 1.00 0.00 N ATOM 1223 CA GLN A 82 -5.341 0.585 -0.307 1.00 0.00 C ATOM 1224 C GLN A 82 -5.669 1.944 0.302 1.00 0.00 C ATOM 1225 O GLN A 82 -6.441 2.718 -0.262 1.00 0.00 O ATOM 1226 CB GLN A 82 -6.228 -0.494 0.316 1.00 0.00 C ATOM 1227 CG GLN A 82 -6.581 -1.621 -0.642 1.00 0.00 C ATOM 1228 CD GLN A 82 -7.378 -2.725 0.024 1.00 0.00 C ATOM 1229 OE1 GLN A 82 -8.609 -2.697 0.037 1.00 0.00 O ATOM 1230 NE2 GLN A 82 -6.679 -3.706 0.583 1.00 0.00 N ATOM 0 H GLN A 82 -3.752 -0.733 0.059 1.00 0.00 H new ATOM 0 HA GLN A 82 -5.536 0.632 -1.378 1.00 0.00 H new ATOM 0 HB2 GLN A 82 -5.720 -0.913 1.185 1.00 0.00 H new ATOM 0 HB3 GLN A 82 -7.148 -0.033 0.676 1.00 0.00 H new ATOM 0 HG2 GLN A 82 -7.154 -1.217 -1.477 1.00 0.00 H new ATOM 0 HG3 GLN A 82 -5.665 -2.040 -1.058 1.00 0.00 H new ATOM 0 HE21 GLN A 82 -5.660 -3.689 0.549 1.00 0.00 H new ATOM 0 HE22 GLN A 82 -7.161 -4.476 1.046 1.00 0.00 H new ATOM 1239 N ALA A 83 -5.077 2.227 1.458 1.00 0.00 N ATOM 1240 CA ALA A 83 -5.304 3.493 2.143 1.00 0.00 C ATOM 1241 C ALA A 83 -4.820 4.668 1.299 1.00 0.00 C ATOM 1242 O ALA A 83 -5.539 5.650 1.114 1.00 0.00 O ATOM 1243 CB ALA A 83 -4.611 3.493 3.497 1.00 0.00 C ATOM 0 H ALA A 83 -4.436 1.596 1.940 1.00 0.00 H new ATOM 0 HA ALA A 83 -6.377 3.607 2.297 1.00 0.00 H new ATOM 0 HB1 ALA A 83 -4.789 4.445 3.997 1.00 0.00 H new ATOM 0 HB2 ALA A 83 -5.007 2.682 4.108 1.00 0.00 H new ATOM 0 HB3 ALA A 83 -3.539 3.352 3.357 1.00 0.00 H new ATOM 1249 N LYS A 84 -3.597 4.562 0.791 1.00 0.00 N ATOM 1250 CA LYS A 84 -3.016 5.615 -0.033 1.00 0.00 C ATOM 1251 C LYS A 84 -4.026 6.124 -1.056 1.00 0.00 C ATOM 1252 O LYS A 84 -4.177 7.332 -1.245 1.00 0.00 O ATOM 1253 CB LYS A 84 -1.765 5.100 -0.748 1.00 0.00 C ATOM 1254 CG LYS A 84 -0.478 5.363 0.013 1.00 0.00 C ATOM 1255 CD LYS A 84 0.552 4.275 -0.240 1.00 0.00 C ATOM 1256 CE LYS A 84 1.133 4.373 -1.643 1.00 0.00 C ATOM 1257 NZ LYS A 84 2.538 3.884 -1.697 1.00 0.00 N ATOM 0 H LYS A 84 -2.988 3.756 0.936 1.00 0.00 H new ATOM 0 HA LYS A 84 -2.739 6.442 0.620 1.00 0.00 H new ATOM 0 HB2 LYS A 84 -1.867 4.027 -0.913 1.00 0.00 H new ATOM 0 HB3 LYS A 84 -1.699 5.569 -1.730 1.00 0.00 H new ATOM 0 HG2 LYS A 84 -0.069 6.329 -0.285 1.00 0.00 H new ATOM 0 HG3 LYS A 84 -0.691 5.422 1.080 1.00 0.00 H new ATOM 0 HD2 LYS A 84 1.354 4.354 0.494 1.00 0.00 H new ATOM 0 HD3 LYS A 84 0.091 3.297 -0.103 1.00 0.00 H new ATOM 0 HE2 LYS A 84 0.520 3.792 -2.331 1.00 0.00 H new ATOM 0 HE3 LYS A 84 1.096 5.409 -1.980 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 3.180 4.688 -1.853 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 2.778 3.418 -0.799 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 2.639 3.204 -2.477 1.00 0.00 H new ATOM 1271 N ILE A 85 -4.716 5.197 -1.712 1.00 0.00 N ATOM 1272 CA ILE A 85 -5.713 5.553 -2.714 1.00 0.00 C ATOM 1273 C ILE A 85 -6.991 6.067 -2.059 1.00 0.00 C ATOM 1274 O ILE A 85 -7.548 7.085 -2.471 1.00 0.00 O ATOM 1275 CB ILE A 85 -6.058 4.354 -3.617 1.00 0.00 C ATOM 1276 CG1 ILE A 85 -4.786 3.775 -4.241 1.00 0.00 C ATOM 1277 CG2 ILE A 85 -7.043 4.771 -4.698 1.00 0.00 C ATOM 1278 CD1 ILE A 85 -4.053 2.812 -3.334 1.00 0.00 C ATOM 0 H ILE A 85 -4.603 4.194 -1.568 1.00 0.00 H new ATOM 0 HA ILE A 85 -5.277 6.343 -3.325 1.00 0.00 H new ATOM 0 HB ILE A 85 -6.525 3.581 -3.007 1.00 0.00 H new ATOM 0 HG12 ILE A 85 -5.046 3.263 -5.167 1.00 0.00 H new ATOM 0 HG13 ILE A 85 -4.116 4.593 -4.506 1.00 0.00 H new ATOM 0 HG21 ILE A 85 -7.277 3.913 -5.328 1.00 0.00 H new ATOM 0 HG22 ILE A 85 -7.957 5.141 -4.234 1.00 0.00 H new ATOM 0 HG23 ILE A 85 -6.602 5.559 -5.308 1.00 0.00 H new ATOM 0 HD11 ILE A 85 -3.162 2.441 -3.841 1.00 0.00 H new ATOM 0 HD12 ILE A 85 -3.762 3.325 -2.418 1.00 0.00 H new ATOM 0 HD13 ILE A 85 -4.706 1.974 -3.089 1.00 0.00 H new ATOM 1290 N LYS A 86 -7.451 5.356 -1.035 1.00 0.00 N ATOM 1291 CA LYS A 86 -8.662 5.740 -0.319 1.00 0.00 C ATOM 1292 C LYS A 86 -8.604 7.205 0.101 1.00 0.00 C ATOM 1293 O LYS A 86 -9.569 7.949 -0.073 1.00 0.00 O ATOM 1294 CB LYS A 86 -8.854 4.853 0.913 1.00 0.00 C ATOM 1295 CG LYS A 86 -9.581 3.552 0.618 1.00 0.00 C ATOM 1296 CD LYS A 86 -10.199 2.961 1.874 1.00 0.00 C ATOM 1297 CE LYS A 86 -9.235 2.020 2.580 1.00 0.00 C ATOM 1298 NZ LYS A 86 -9.694 1.685 3.956 1.00 0.00 N ATOM 0 H LYS A 86 -7.003 4.510 -0.682 1.00 0.00 H new ATOM 0 HA LYS A 86 -9.509 5.606 -0.991 1.00 0.00 H new ATOM 0 HB2 LYS A 86 -7.878 4.625 1.342 1.00 0.00 H new ATOM 0 HB3 LYS A 86 -9.412 5.408 1.667 1.00 0.00 H new ATOM 0 HG2 LYS A 86 -10.360 3.730 -0.123 1.00 0.00 H new ATOM 0 HG3 LYS A 86 -8.884 2.836 0.182 1.00 0.00 H new ATOM 0 HD2 LYS A 86 -10.487 3.765 2.552 1.00 0.00 H new ATOM 0 HD3 LYS A 86 -11.110 2.422 1.614 1.00 0.00 H new ATOM 0 HE2 LYS A 86 -9.131 1.104 1.999 1.00 0.00 H new ATOM 0 HE3 LYS A 86 -8.248 2.480 2.628 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 -9.010 1.042 4.403 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 -9.769 2.556 4.519 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 -10.624 1.222 3.909 1.00 0.00 H new ATOM 1312 N ALA A 87 -7.466 7.614 0.653 1.00 0.00 N ATOM 1313 CA ALA A 87 -7.282 8.991 1.094 1.00 0.00 C ATOM 1314 C ALA A 87 -7.792 9.975 0.047 1.00 0.00 C ATOM 1315 O ALA A 87 -8.593 10.859 0.350 1.00 0.00 O ATOM 1316 CB ALA A 87 -5.815 9.255 1.399 1.00 0.00 C ATOM 0 H ALA A 87 -6.658 7.011 0.805 1.00 0.00 H new ATOM 0 HA ALA A 87 -7.863 9.136 2.005 1.00 0.00 H new ATOM 0 HB1 ALA A 87 -5.692 10.287 1.727 1.00 0.00 H new ATOM 0 HB2 ALA A 87 -5.480 8.581 2.187 1.00 0.00 H new ATOM 0 HB3 ALA A 87 -5.221 9.086 0.501 1.00 0.00 H new