USER MOD reduce.3.24.130724 H: found=0, std=0, add=558, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 555 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 46 CYS SG : rot -130:sc= -3.34 USER MOD Set 1.2: A 78 GLN : amide:sc= -0.9 K(o=-4.2,f=-2.8) USER MOD Set 2.1: A 70 SER OG : rot 180:sc= 0 USER MOD Set 2.2: A 74 LYS NZ :NH3+ -117:sc= 1.07 (180deg=-1.27) USER MOD Single : A 22 SER OG : rot 180:sc= 0 USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 HIS : no HE2:sc= -4.33 K(o=-4.3,f=-5.4!) USER MOD Single : A 29 ASN : amide:sc= 0.122 K(o=0.12,f=-2.1!) USER MOD Single : A 30 SER OG : rot 170:sc= 0 USER MOD Single : A 34 THR OG1 : rot 180:sc= 0 USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 SER OG : rot 180:sc= 0 USER MOD Single : A 43 MET CE :methyl 175:sc= -0.928 (180deg=-0.971) USER MOD Single : A 50 HIS : no HD1:sc= -2.6! K(o=-2.6!,f=-0.74) USER MOD Single : A 52 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 58 SER OG : rot 180:sc= 0 USER MOD Single : A 60 SER OG : rot 180:sc= 0 USER MOD Single : A 62 THR OG1 : rot 180:sc= 0 USER MOD Single : A 69 SER OG : rot 180:sc= -0.0453 USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 77 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 81 HIS : no HD1:sc= -0.0419 X(o=-0.042,f=-0.16) USER MOD Single : A 86 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 190 N ILE A 16 5.864 12.883 4.691 1.00 0.00 N ATOM 191 CA ILE A 16 5.323 11.532 4.608 1.00 0.00 C ATOM 192 C ILE A 16 3.850 11.553 4.213 1.00 0.00 C ATOM 193 O ILE A 16 3.117 12.478 4.562 1.00 0.00 O ATOM 194 CB ILE A 16 5.473 10.781 5.944 1.00 0.00 C ATOM 195 CG1 ILE A 16 6.950 10.674 6.330 1.00 0.00 C ATOM 196 CG2 ILE A 16 4.843 9.399 5.850 1.00 0.00 C ATOM 197 CD1 ILE A 16 7.781 9.900 5.331 1.00 0.00 C ATOM 0 HA ILE A 16 5.896 11.010 3.841 1.00 0.00 H new ATOM 0 HB ILE A 16 4.953 11.343 6.720 1.00 0.00 H new ATOM 0 HG12 ILE A 16 7.363 11.677 6.435 1.00 0.00 H new ATOM 0 HG13 ILE A 16 7.028 10.194 7.305 1.00 0.00 H new ATOM 0 HG21 ILE A 16 4.958 8.881 6.802 1.00 0.00 H new ATOM 0 HG22 ILE A 16 3.783 9.497 5.616 1.00 0.00 H new ATOM 0 HG23 ILE A 16 5.337 8.827 5.064 1.00 0.00 H new ATOM 0 HD11 ILE A 16 8.817 9.865 5.669 1.00 0.00 H new ATOM 0 HD12 ILE A 16 7.393 8.885 5.244 1.00 0.00 H new ATOM 0 HD13 ILE A 16 7.733 10.392 4.359 1.00 0.00 H new ATOM 209 N ALA A 17 3.423 10.527 3.485 1.00 0.00 N ATOM 210 CA ALA A 17 2.037 10.424 3.046 1.00 0.00 C ATOM 211 C ALA A 17 1.441 9.072 3.420 1.00 0.00 C ATOM 212 O ALA A 17 1.863 8.035 2.910 1.00 0.00 O ATOM 213 CB ALA A 17 1.941 10.649 1.545 1.00 0.00 C ATOM 0 H ALA A 17 4.018 9.754 3.186 1.00 0.00 H new ATOM 0 HA ALA A 17 1.462 11.197 3.556 1.00 0.00 H new ATOM 0 HB1 ALA A 17 0.900 10.569 1.231 1.00 0.00 H new ATOM 0 HB2 ALA A 17 2.319 11.642 1.301 1.00 0.00 H new ATOM 0 HB3 ALA A 17 2.535 9.897 1.026 1.00 0.00 H new ATOM 219 N GLU A 18 0.457 9.091 4.314 1.00 0.00 N ATOM 220 CA GLU A 18 -0.196 7.864 4.757 1.00 0.00 C ATOM 221 C GLU A 18 -1.389 7.532 3.866 1.00 0.00 C ATOM 222 O GLU A 18 -2.398 8.237 3.870 1.00 0.00 O ATOM 223 CB GLU A 18 -0.653 8.001 6.211 1.00 0.00 C ATOM 224 CG GLU A 18 -0.770 6.672 6.939 1.00 0.00 C ATOM 225 CD GLU A 18 -1.763 6.720 8.084 1.00 0.00 C ATOM 226 OE1 GLU A 18 -2.959 6.448 7.845 1.00 0.00 O ATOM 227 OE2 GLU A 18 -1.344 7.027 9.219 1.00 0.00 O ATOM 0 H GLU A 18 0.095 9.941 4.745 1.00 0.00 H new ATOM 0 HA GLU A 18 0.526 7.051 4.686 1.00 0.00 H new ATOM 0 HB2 GLU A 18 0.051 8.638 6.746 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -1.619 8.505 6.234 1.00 0.00 H new ATOM 0 HG2 GLU A 18 -1.073 5.900 6.232 1.00 0.00 H new ATOM 0 HG3 GLU A 18 0.209 6.385 7.323 1.00 0.00 H new ATOM 234 N VAL A 19 -1.265 6.451 3.102 1.00 0.00 N ATOM 235 CA VAL A 19 -2.333 6.022 2.205 1.00 0.00 C ATOM 236 C VAL A 19 -2.765 4.593 2.510 1.00 0.00 C ATOM 237 O VAL A 19 -1.948 3.672 2.504 1.00 0.00 O ATOM 238 CB VAL A 19 -1.896 6.112 0.730 1.00 0.00 C ATOM 239 CG1 VAL A 19 -3.010 5.629 -0.186 1.00 0.00 C ATOM 240 CG2 VAL A 19 -1.487 7.535 0.381 1.00 0.00 C ATOM 0 H VAL A 19 -0.436 5.856 3.086 1.00 0.00 H new ATOM 0 HA VAL A 19 -3.175 6.695 2.369 1.00 0.00 H new ATOM 0 HB VAL A 19 -1.031 5.464 0.585 1.00 0.00 H new ATOM 0 HG11 VAL A 19 -2.684 5.700 -1.224 1.00 0.00 H new ATOM 0 HG12 VAL A 19 -3.251 4.592 0.049 1.00 0.00 H new ATOM 0 HG13 VAL A 19 -3.895 6.249 -0.041 1.00 0.00 H new ATOM 0 HG21 VAL A 19 -1.181 7.580 -0.664 1.00 0.00 H new ATOM 0 HG22 VAL A 19 -2.331 8.206 0.541 1.00 0.00 H new ATOM 0 HG23 VAL A 19 -0.655 7.840 1.016 1.00 0.00 H new ATOM 250 N GLU A 20 -4.055 4.415 2.776 1.00 0.00 N ATOM 251 CA GLU A 20 -4.597 3.097 3.084 1.00 0.00 C ATOM 252 C GLU A 20 -5.384 2.541 1.900 1.00 0.00 C ATOM 253 O GLU A 20 -5.922 3.296 1.089 1.00 0.00 O ATOM 254 CB GLU A 20 -5.495 3.165 4.320 1.00 0.00 C ATOM 255 CG GLU A 20 -4.773 3.637 5.572 1.00 0.00 C ATOM 256 CD GLU A 20 -5.711 4.264 6.585 1.00 0.00 C ATOM 257 OE1 GLU A 20 -6.563 3.537 7.136 1.00 0.00 O ATOM 258 OE2 GLU A 20 -5.593 5.484 6.826 1.00 0.00 O ATOM 0 H GLU A 20 -4.744 5.167 2.784 1.00 0.00 H new ATOM 0 HA GLU A 20 -3.761 2.429 3.288 1.00 0.00 H new ATOM 0 HB2 GLU A 20 -6.329 3.837 4.116 1.00 0.00 H new ATOM 0 HB3 GLU A 20 -5.919 2.178 4.505 1.00 0.00 H new ATOM 0 HG2 GLU A 20 -4.260 2.792 6.032 1.00 0.00 H new ATOM 0 HG3 GLU A 20 -4.008 4.362 5.294 1.00 0.00 H new ATOM 265 N VAL A 21 -5.446 1.216 1.807 1.00 0.00 N ATOM 266 CA VAL A 21 -6.166 0.559 0.723 1.00 0.00 C ATOM 267 C VAL A 21 -6.966 -0.631 1.238 1.00 0.00 C ATOM 268 O VAL A 21 -6.542 -1.322 2.165 1.00 0.00 O ATOM 269 CB VAL A 21 -5.205 0.080 -0.381 1.00 0.00 C ATOM 270 CG1 VAL A 21 -4.325 -1.050 0.131 1.00 0.00 C ATOM 271 CG2 VAL A 21 -5.984 -0.356 -1.612 1.00 0.00 C ATOM 0 H VAL A 21 -5.006 0.577 2.469 1.00 0.00 H new ATOM 0 HA VAL A 21 -6.849 1.298 0.303 1.00 0.00 H new ATOM 0 HB VAL A 21 -4.560 0.912 -0.663 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -3.653 -1.376 -0.663 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -3.740 -0.699 0.981 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -4.951 -1.886 0.442 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -5.289 -0.691 -2.382 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -6.655 -1.173 -1.347 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -6.567 0.484 -1.990 1.00 0.00 H new ATOM 281 N SER A 22 -8.125 -0.867 0.631 1.00 0.00 N ATOM 282 CA SER A 22 -8.986 -1.974 1.031 1.00 0.00 C ATOM 283 C SER A 22 -8.491 -3.289 0.436 1.00 0.00 C ATOM 284 O SER A 22 -8.422 -3.444 -0.784 1.00 0.00 O ATOM 285 CB SER A 22 -10.427 -1.712 0.589 1.00 0.00 C ATOM 286 OG SER A 22 -11.300 -2.718 1.072 1.00 0.00 O ATOM 0 H SER A 22 -8.489 -0.306 -0.139 1.00 0.00 H new ATOM 0 HA SER A 22 -8.955 -2.052 2.118 1.00 0.00 H new ATOM 0 HB2 SER A 22 -10.752 -0.738 0.955 1.00 0.00 H new ATOM 0 HB3 SER A 22 -10.476 -1.676 -0.499 1.00 0.00 H new ATOM 0 HG SER A 22 -12.215 -2.526 0.777 1.00 0.00 H new ATOM 292 N ILE A 23 -8.149 -4.233 1.307 1.00 0.00 N ATOM 293 CA ILE A 23 -7.662 -5.535 0.869 1.00 0.00 C ATOM 294 C ILE A 23 -7.939 -6.607 1.917 1.00 0.00 C ATOM 295 O ILE A 23 -7.778 -6.391 3.119 1.00 0.00 O ATOM 296 CB ILE A 23 -6.151 -5.501 0.574 1.00 0.00 C ATOM 297 CG1 ILE A 23 -5.848 -4.485 -0.530 1.00 0.00 C ATOM 298 CG2 ILE A 23 -5.657 -6.884 0.178 1.00 0.00 C ATOM 299 CD1 ILE A 23 -4.373 -4.356 -0.843 1.00 0.00 C ATOM 0 H ILE A 23 -8.200 -4.120 2.319 1.00 0.00 H new ATOM 0 HA ILE A 23 -8.198 -5.779 -0.048 1.00 0.00 H new ATOM 0 HB ILE A 23 -5.626 -5.195 1.479 1.00 0.00 H new ATOM 0 HG12 ILE A 23 -6.380 -4.776 -1.436 1.00 0.00 H new ATOM 0 HG13 ILE A 23 -6.235 -3.510 -0.232 1.00 0.00 H new ATOM 0 HG21 ILE A 23 -4.587 -6.843 -0.027 1.00 0.00 H new ATOM 0 HG22 ILE A 23 -5.844 -7.584 0.992 1.00 0.00 H new ATOM 0 HG23 ILE A 23 -6.185 -7.217 -0.715 1.00 0.00 H new ATOM 0 HD11 ILE A 23 -4.232 -3.619 -1.634 1.00 0.00 H new ATOM 0 HD12 ILE A 23 -3.838 -4.035 0.051 1.00 0.00 H new ATOM 0 HD13 ILE A 23 -3.985 -5.320 -1.172 1.00 0.00 H new ATOM 311 N PRO A 24 -8.365 -7.791 1.455 1.00 0.00 N ATOM 312 CA PRO A 24 -8.672 -8.922 2.336 1.00 0.00 C ATOM 313 C PRO A 24 -7.421 -9.511 2.979 1.00 0.00 C ATOM 314 O PRO A 24 -6.352 -9.540 2.368 1.00 0.00 O ATOM 315 CB PRO A 24 -9.320 -9.940 1.395 1.00 0.00 C ATOM 316 CG PRO A 24 -8.777 -9.609 0.047 1.00 0.00 C ATOM 317 CD PRO A 24 -8.579 -8.119 0.035 1.00 0.00 C ATOM 0 HA PRO A 24 -9.309 -8.628 3.170 1.00 0.00 H new ATOM 0 HB2 PRO A 24 -9.069 -10.961 1.683 1.00 0.00 H new ATOM 0 HB3 PRO A 24 -10.407 -9.861 1.414 1.00 0.00 H new ATOM 0 HG2 PRO A 24 -7.836 -10.129 -0.133 1.00 0.00 H new ATOM 0 HG3 PRO A 24 -9.467 -9.917 -0.738 1.00 0.00 H new ATOM 0 HD2 PRO A 24 -7.724 -7.832 -0.577 1.00 0.00 H new ATOM 0 HD3 PRO A 24 -9.449 -7.601 -0.370 1.00 0.00 H new ATOM 325 N ALA A 25 -7.561 -9.982 4.215 1.00 0.00 N ATOM 326 CA ALA A 25 -6.443 -10.573 4.938 1.00 0.00 C ATOM 327 C ALA A 25 -6.005 -11.885 4.295 1.00 0.00 C ATOM 328 O ALA A 25 -4.837 -12.265 4.369 1.00 0.00 O ATOM 329 CB ALA A 25 -6.817 -10.797 6.396 1.00 0.00 C ATOM 0 H ALA A 25 -8.438 -9.965 4.735 1.00 0.00 H new ATOM 0 HA ALA A 25 -5.604 -9.878 4.892 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -5.972 -11.239 6.924 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -7.074 -9.843 6.856 1.00 0.00 H new ATOM 0 HB3 ALA A 25 -7.673 -11.470 6.453 1.00 0.00 H new ATOM 335 N LYS A 26 -6.951 -12.574 3.664 1.00 0.00 N ATOM 336 CA LYS A 26 -6.662 -13.843 3.007 1.00 0.00 C ATOM 337 C LYS A 26 -5.554 -13.681 1.971 1.00 0.00 C ATOM 338 O LYS A 26 -4.800 -14.618 1.703 1.00 0.00 O ATOM 339 CB LYS A 26 -7.924 -14.391 2.337 1.00 0.00 C ATOM 340 CG LYS A 26 -8.272 -13.694 1.033 1.00 0.00 C ATOM 341 CD LYS A 26 -9.770 -13.708 0.775 1.00 0.00 C ATOM 342 CE LYS A 26 -10.131 -12.894 -0.458 1.00 0.00 C ATOM 343 NZ LYS A 26 -9.851 -13.640 -1.716 1.00 0.00 N ATOM 0 H LYS A 26 -7.924 -12.275 3.594 1.00 0.00 H new ATOM 0 HA LYS A 26 -6.324 -14.548 3.766 1.00 0.00 H new ATOM 0 HB2 LYS A 26 -7.791 -15.456 2.146 1.00 0.00 H new ATOM 0 HB3 LYS A 26 -8.763 -14.294 3.026 1.00 0.00 H new ATOM 0 HG2 LYS A 26 -7.917 -12.664 1.064 1.00 0.00 H new ATOM 0 HG3 LYS A 26 -7.755 -14.185 0.208 1.00 0.00 H new ATOM 0 HD2 LYS A 26 -10.108 -14.736 0.645 1.00 0.00 H new ATOM 0 HD3 LYS A 26 -10.293 -13.307 1.643 1.00 0.00 H new ATOM 0 HE2 LYS A 26 -11.187 -12.628 -0.421 1.00 0.00 H new ATOM 0 HE3 LYS A 26 -9.567 -11.961 -0.456 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 -10.110 -13.052 -2.533 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 -8.838 -13.872 -1.764 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 -10.409 -14.518 -1.730 1.00 0.00 H new ATOM 357 N LEU A 27 -5.459 -12.488 1.396 1.00 0.00 N ATOM 358 CA LEU A 27 -4.440 -12.204 0.390 1.00 0.00 C ATOM 359 C LEU A 27 -3.176 -11.647 1.038 1.00 0.00 C ATOM 360 O LEU A 27 -2.062 -11.980 0.636 1.00 0.00 O ATOM 361 CB LEU A 27 -4.977 -11.210 -0.641 1.00 0.00 C ATOM 362 CG LEU A 27 -6.181 -11.678 -1.461 1.00 0.00 C ATOM 363 CD1 LEU A 27 -6.750 -10.529 -2.278 1.00 0.00 C ATOM 364 CD2 LEU A 27 -5.791 -12.837 -2.367 1.00 0.00 C ATOM 0 H LEU A 27 -6.074 -11.702 1.608 1.00 0.00 H new ATOM 0 HA LEU A 27 -4.189 -13.139 -0.111 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -5.251 -10.291 -0.122 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -4.170 -10.959 -1.329 1.00 0.00 H new ATOM 0 HG LEU A 27 -6.952 -12.024 -0.773 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -7.605 -10.881 -2.854 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -7.068 -9.729 -1.609 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -5.985 -10.152 -2.957 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -6.659 -13.157 -2.943 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -5.002 -12.517 -3.048 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -5.432 -13.668 -1.760 1.00 0.00 H new ATOM 376 N HIS A 28 -3.357 -10.801 2.047 1.00 0.00 N ATOM 377 CA HIS A 28 -2.232 -10.201 2.754 1.00 0.00 C ATOM 378 C HIS A 28 -1.072 -11.186 2.864 1.00 0.00 C ATOM 379 O HIS A 28 0.011 -10.945 2.333 1.00 0.00 O ATOM 380 CB HIS A 28 -2.663 -9.744 4.148 1.00 0.00 C ATOM 381 CG HIS A 28 -3.626 -8.597 4.132 1.00 0.00 C ATOM 382 ND1 HIS A 28 -4.186 -8.068 5.275 1.00 0.00 N ATOM 383 CD2 HIS A 28 -4.126 -7.876 3.101 1.00 0.00 C ATOM 384 CE1 HIS A 28 -4.990 -7.072 4.949 1.00 0.00 C ATOM 385 NE2 HIS A 28 -4.972 -6.935 3.636 1.00 0.00 N ATOM 0 H HIS A 28 -4.273 -10.516 2.393 1.00 0.00 H new ATOM 0 HA HIS A 28 -1.897 -9.335 2.184 1.00 0.00 H new ATOM 0 HB2 HIS A 28 -3.120 -10.584 4.671 1.00 0.00 H new ATOM 0 HB3 HIS A 28 -1.779 -9.457 4.717 1.00 0.00 H new ATOM 0 HD1 HIS A 28 -4.007 -8.395 6.225 1.00 0.00 H new ATOM 0 HD2 HIS A 28 -3.902 -8.015 2.054 1.00 0.00 H new ATOM 0 HE1 HIS A 28 -5.564 -6.472 5.639 1.00 0.00 H new ATOM 393 N ASN A 29 -1.308 -12.295 3.558 1.00 0.00 N ATOM 394 CA ASN A 29 -0.282 -13.316 3.739 1.00 0.00 C ATOM 395 C ASN A 29 0.415 -13.626 2.417 1.00 0.00 C ATOM 396 O ASN A 29 1.635 -13.507 2.305 1.00 0.00 O ATOM 397 CB ASN A 29 -0.899 -14.592 4.314 1.00 0.00 C ATOM 398 CG ASN A 29 -1.483 -14.378 5.699 1.00 0.00 C ATOM 399 OD1 ASN A 29 -2.452 -13.639 5.869 1.00 0.00 O ATOM 400 ND2 ASN A 29 -0.891 -15.026 6.695 1.00 0.00 N ATOM 0 H ASN A 29 -2.200 -12.509 4.004 1.00 0.00 H new ATOM 0 HA ASN A 29 0.459 -12.931 4.439 1.00 0.00 H new ATOM 0 HB2 ASN A 29 -1.681 -14.948 3.644 1.00 0.00 H new ATOM 0 HB3 ASN A 29 -0.139 -15.372 4.360 1.00 0.00 H new ATOM 0 HD21 ASN A 29 -1.237 -14.921 7.649 1.00 0.00 H new ATOM 0 HD22 ASN A 29 -0.090 -15.628 6.507 1.00 0.00 H new ATOM 407 N SER A 30 -0.369 -14.025 1.420 1.00 0.00 N ATOM 408 CA SER A 30 0.173 -14.357 0.108 1.00 0.00 C ATOM 409 C SER A 30 1.110 -13.258 -0.386 1.00 0.00 C ATOM 410 O SER A 30 2.296 -13.494 -0.619 1.00 0.00 O ATOM 411 CB SER A 30 -0.960 -14.567 -0.897 1.00 0.00 C ATOM 412 OG SER A 30 -0.541 -15.383 -1.977 1.00 0.00 O ATOM 0 H SER A 30 -1.381 -14.126 1.496 1.00 0.00 H new ATOM 0 HA SER A 30 0.742 -15.282 0.200 1.00 0.00 H new ATOM 0 HB2 SER A 30 -1.812 -15.029 -0.398 1.00 0.00 H new ATOM 0 HB3 SER A 30 -1.297 -13.602 -1.276 1.00 0.00 H new ATOM 0 HG SER A 30 -1.319 -15.635 -2.518 1.00 0.00 H new ATOM 418 N LEU A 31 0.567 -12.055 -0.544 1.00 0.00 N ATOM 419 CA LEU A 31 1.353 -10.918 -1.011 1.00 0.00 C ATOM 420 C LEU A 31 2.662 -10.806 -0.237 1.00 0.00 C ATOM 421 O LEU A 31 3.737 -10.701 -0.829 1.00 0.00 O ATOM 422 CB LEU A 31 0.549 -9.625 -0.865 1.00 0.00 C ATOM 423 CG LEU A 31 -0.307 -9.228 -2.069 1.00 0.00 C ATOM 424 CD1 LEU A 31 -1.529 -8.443 -1.619 1.00 0.00 C ATOM 425 CD2 LEU A 31 0.512 -8.417 -3.063 1.00 0.00 C ATOM 0 H LEU A 31 -0.413 -11.842 -0.356 1.00 0.00 H new ATOM 0 HA LEU A 31 1.588 -11.077 -2.063 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -0.103 -9.722 0.003 1.00 0.00 H new ATOM 0 HB3 LEU A 31 1.243 -8.811 -0.653 1.00 0.00 H new ATOM 0 HG LEU A 31 -0.646 -10.138 -2.564 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -2.126 -8.169 -2.489 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -2.128 -9.057 -0.946 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -1.210 -7.540 -1.099 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -0.114 -8.144 -3.913 1.00 0.00 H new ATOM 0 HD22 LEU A 31 0.881 -7.513 -2.578 1.00 0.00 H new ATOM 0 HD23 LEU A 31 1.356 -9.013 -3.411 1.00 0.00 H new ATOM 437 N ILE A 32 2.565 -10.832 1.088 1.00 0.00 N ATOM 438 CA ILE A 32 3.742 -10.738 1.941 1.00 0.00 C ATOM 439 C ILE A 32 4.790 -11.773 1.550 1.00 0.00 C ATOM 440 O ILE A 32 5.944 -11.436 1.289 1.00 0.00 O ATOM 441 CB ILE A 32 3.378 -10.928 3.425 1.00 0.00 C ATOM 442 CG1 ILE A 32 2.368 -9.866 3.867 1.00 0.00 C ATOM 443 CG2 ILE A 32 4.629 -10.869 4.290 1.00 0.00 C ATOM 444 CD1 ILE A 32 1.571 -10.261 5.089 1.00 0.00 C ATOM 0 H ILE A 32 1.683 -10.917 1.593 1.00 0.00 H new ATOM 0 HA ILE A 32 4.153 -9.738 1.801 1.00 0.00 H new ATOM 0 HB ILE A 32 2.921 -11.910 3.547 1.00 0.00 H new ATOM 0 HG12 ILE A 32 2.898 -8.936 4.074 1.00 0.00 H new ATOM 0 HG13 ILE A 32 1.681 -9.665 3.045 1.00 0.00 H new ATOM 0 HG21 ILE A 32 4.355 -11.005 5.336 1.00 0.00 H new ATOM 0 HG22 ILE A 32 5.317 -11.659 3.989 1.00 0.00 H new ATOM 0 HG23 ILE A 32 5.113 -9.900 4.165 1.00 0.00 H new ATOM 0 HD11 ILE A 32 0.876 -9.461 5.344 1.00 0.00 H new ATOM 0 HD12 ILE A 32 1.013 -11.174 4.880 1.00 0.00 H new ATOM 0 HD13 ILE A 32 2.249 -10.433 5.925 1.00 0.00 H new ATOM 456 N GLY A 33 4.380 -13.037 1.510 1.00 0.00 N ATOM 457 CA GLY A 33 5.295 -14.103 1.147 1.00 0.00 C ATOM 458 C GLY A 33 5.617 -15.013 2.316 1.00 0.00 C ATOM 459 O GLY A 33 5.151 -14.791 3.433 1.00 0.00 O ATOM 0 H GLY A 33 3.430 -13.342 1.723 1.00 0.00 H new ATOM 0 HA2 GLY A 33 4.859 -14.693 0.341 1.00 0.00 H new ATOM 0 HA3 GLY A 33 6.218 -13.670 0.762 1.00 0.00 H new ATOM 463 N THR A 34 6.417 -16.044 2.058 1.00 0.00 N ATOM 464 CA THR A 34 6.798 -16.993 3.096 1.00 0.00 C ATOM 465 C THR A 34 7.174 -16.274 4.387 1.00 0.00 C ATOM 466 O THR A 34 6.640 -16.576 5.455 1.00 0.00 O ATOM 467 CB THR A 34 7.983 -17.870 2.648 1.00 0.00 C ATOM 468 OG1 THR A 34 8.762 -18.260 3.784 1.00 0.00 O ATOM 469 CG2 THR A 34 8.862 -17.126 1.655 1.00 0.00 C ATOM 0 H THR A 34 6.813 -16.242 1.139 1.00 0.00 H new ATOM 0 HA THR A 34 5.931 -17.629 3.276 1.00 0.00 H new ATOM 0 HB THR A 34 7.584 -18.759 2.160 1.00 0.00 H new ATOM 0 HG1 THR A 34 9.512 -18.818 3.490 1.00 0.00 H new ATOM 0 HG21 THR A 34 9.692 -17.765 1.353 1.00 0.00 H new ATOM 0 HG22 THR A 34 8.273 -16.857 0.778 1.00 0.00 H new ATOM 0 HG23 THR A 34 9.252 -16.221 2.121 1.00 0.00 H new ATOM 477 N LYS A 35 8.095 -15.321 4.283 1.00 0.00 N ATOM 478 CA LYS A 35 8.540 -14.557 5.441 1.00 0.00 C ATOM 479 C LYS A 35 8.372 -13.061 5.203 1.00 0.00 C ATOM 480 O LYS A 35 8.343 -12.271 6.146 1.00 0.00 O ATOM 481 CB LYS A 35 10.005 -14.874 5.754 1.00 0.00 C ATOM 482 CG LYS A 35 10.984 -14.253 4.773 1.00 0.00 C ATOM 483 CD LYS A 35 11.242 -15.167 3.588 1.00 0.00 C ATOM 484 CE LYS A 35 12.290 -16.220 3.914 1.00 0.00 C ATOM 485 NZ LYS A 35 12.502 -17.163 2.780 1.00 0.00 N ATOM 0 H LYS A 35 8.548 -15.060 3.407 1.00 0.00 H new ATOM 0 HA LYS A 35 7.923 -14.842 6.293 1.00 0.00 H new ATOM 0 HB2 LYS A 35 10.238 -14.522 6.759 1.00 0.00 H new ATOM 0 HB3 LYS A 35 10.142 -15.955 5.756 1.00 0.00 H new ATOM 0 HG2 LYS A 35 10.591 -13.300 4.419 1.00 0.00 H new ATOM 0 HG3 LYS A 35 11.925 -14.041 5.281 1.00 0.00 H new ATOM 0 HD2 LYS A 35 10.313 -15.656 3.295 1.00 0.00 H new ATOM 0 HD3 LYS A 35 11.573 -14.574 2.735 1.00 0.00 H new ATOM 0 HE2 LYS A 35 13.232 -15.730 4.160 1.00 0.00 H new ATOM 0 HE3 LYS A 35 11.981 -16.778 4.798 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 13.223 -17.865 3.042 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 11.609 -17.649 2.561 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 12.822 -16.634 1.944 1.00 0.00 H new ATOM 499 N GLY A 36 8.261 -12.676 3.935 1.00 0.00 N ATOM 500 CA GLY A 36 8.096 -11.275 3.596 1.00 0.00 C ATOM 501 C GLY A 36 9.139 -10.790 2.608 1.00 0.00 C ATOM 502 O GLY A 36 9.789 -9.769 2.832 1.00 0.00 O ATOM 0 H GLY A 36 8.282 -13.310 3.136 1.00 0.00 H new ATOM 0 HA2 GLY A 36 7.102 -11.121 3.175 1.00 0.00 H new ATOM 0 HA3 GLY A 36 8.154 -10.675 4.504 1.00 0.00 H new ATOM 506 N ARG A 37 9.299 -11.525 1.513 1.00 0.00 N ATOM 507 CA ARG A 37 10.272 -11.166 0.487 1.00 0.00 C ATOM 508 C ARG A 37 9.593 -10.462 -0.684 1.00 0.00 C ATOM 509 O ARG A 37 10.197 -9.620 -1.350 1.00 0.00 O ATOM 510 CB ARG A 37 11.005 -12.413 -0.009 1.00 0.00 C ATOM 511 CG ARG A 37 10.155 -13.305 -0.899 1.00 0.00 C ATOM 512 CD ARG A 37 11.017 -14.166 -1.811 1.00 0.00 C ATOM 513 NE ARG A 37 12.028 -14.910 -1.065 1.00 0.00 N ATOM 514 CZ ARG A 37 12.947 -15.677 -1.640 1.00 0.00 C ATOM 515 NH1 ARG A 37 12.982 -15.801 -2.959 1.00 0.00 N ATOM 516 NH2 ARG A 37 13.835 -16.323 -0.894 1.00 0.00 N ATOM 0 H ARG A 37 8.768 -12.373 1.313 1.00 0.00 H new ATOM 0 HA ARG A 37 10.994 -10.481 0.931 1.00 0.00 H new ATOM 0 HB2 ARG A 37 11.894 -12.106 -0.559 1.00 0.00 H new ATOM 0 HB3 ARG A 37 11.345 -12.990 0.851 1.00 0.00 H new ATOM 0 HG2 ARG A 37 9.526 -13.945 -0.280 1.00 0.00 H new ATOM 0 HG3 ARG A 37 9.488 -12.689 -1.502 1.00 0.00 H new ATOM 0 HD2 ARG A 37 10.382 -14.864 -2.357 1.00 0.00 H new ATOM 0 HD3 ARG A 37 11.506 -13.533 -2.552 1.00 0.00 H new ATOM 0 HE ARG A 37 12.028 -14.837 -0.048 1.00 0.00 H new ATOM 0 HH11 ARG A 37 12.302 -15.306 -3.536 1.00 0.00 H new ATOM 0 HH12 ARG A 37 13.689 -16.391 -3.397 1.00 0.00 H new ATOM 0 HH21 ARG A 37 13.812 -16.230 0.122 1.00 0.00 H new ATOM 0 HH22 ARG A 37 14.541 -16.912 -1.336 1.00 0.00 H new ATOM 530 N LEU A 38 8.335 -10.812 -0.929 1.00 0.00 N ATOM 531 CA LEU A 38 7.573 -10.214 -2.020 1.00 0.00 C ATOM 532 C LEU A 38 7.206 -8.769 -1.700 1.00 0.00 C ATOM 533 O LEU A 38 7.083 -7.935 -2.598 1.00 0.00 O ATOM 534 CB LEU A 38 6.306 -11.027 -2.289 1.00 0.00 C ATOM 535 CG LEU A 38 6.435 -12.154 -3.313 1.00 0.00 C ATOM 536 CD1 LEU A 38 5.315 -13.166 -3.138 1.00 0.00 C ATOM 537 CD2 LEU A 38 6.432 -11.592 -4.728 1.00 0.00 C ATOM 0 H LEU A 38 7.821 -11.507 -0.387 1.00 0.00 H new ATOM 0 HA LEU A 38 8.198 -10.221 -2.913 1.00 0.00 H new ATOM 0 HB2 LEU A 38 5.968 -11.457 -1.346 1.00 0.00 H new ATOM 0 HB3 LEU A 38 5.526 -10.345 -2.626 1.00 0.00 H new ATOM 0 HG LEU A 38 7.385 -12.662 -3.147 1.00 0.00 H new ATOM 0 HD11 LEU A 38 5.424 -13.961 -3.876 1.00 0.00 H new ATOM 0 HD12 LEU A 38 5.363 -13.592 -2.136 1.00 0.00 H new ATOM 0 HD13 LEU A 38 4.353 -12.672 -3.276 1.00 0.00 H new ATOM 0 HD21 LEU A 38 6.525 -12.409 -5.444 1.00 0.00 H new ATOM 0 HD22 LEU A 38 5.498 -11.058 -4.905 1.00 0.00 H new ATOM 0 HD23 LEU A 38 7.271 -10.906 -4.849 1.00 0.00 H new ATOM 549 N ILE A 39 7.036 -8.477 -0.415 1.00 0.00 N ATOM 550 CA ILE A 39 6.686 -7.132 0.023 1.00 0.00 C ATOM 551 C ILE A 39 7.934 -6.283 0.240 1.00 0.00 C ATOM 552 O ILE A 39 8.010 -5.144 -0.220 1.00 0.00 O ATOM 553 CB ILE A 39 5.865 -7.159 1.327 1.00 0.00 C ATOM 554 CG1 ILE A 39 4.405 -7.507 1.028 1.00 0.00 C ATOM 555 CG2 ILE A 39 5.961 -5.820 2.041 1.00 0.00 C ATOM 556 CD1 ILE A 39 3.648 -6.394 0.339 1.00 0.00 C ATOM 0 H ILE A 39 7.135 -9.154 0.341 1.00 0.00 H new ATOM 0 HA ILE A 39 6.081 -6.690 -0.769 1.00 0.00 H new ATOM 0 HB ILE A 39 6.275 -7.927 1.982 1.00 0.00 H new ATOM 0 HG12 ILE A 39 4.373 -8.399 0.402 1.00 0.00 H new ATOM 0 HG13 ILE A 39 3.900 -7.755 1.962 1.00 0.00 H new ATOM 0 HG21 ILE A 39 5.376 -5.855 2.960 1.00 0.00 H new ATOM 0 HG22 ILE A 39 7.003 -5.610 2.282 1.00 0.00 H new ATOM 0 HG23 ILE A 39 5.573 -5.034 1.394 1.00 0.00 H new ATOM 0 HD11 ILE A 39 2.621 -6.710 0.158 1.00 0.00 H new ATOM 0 HD12 ILE A 39 3.648 -5.507 0.973 1.00 0.00 H new ATOM 0 HD13 ILE A 39 4.129 -6.161 -0.611 1.00 0.00 H new ATOM 568 N ARG A 40 8.911 -6.845 0.942 1.00 0.00 N ATOM 569 CA ARG A 40 10.157 -6.141 1.219 1.00 0.00 C ATOM 570 C ARG A 40 10.725 -5.519 -0.053 1.00 0.00 C ATOM 571 O ARG A 40 11.291 -4.426 -0.024 1.00 0.00 O ATOM 572 CB ARG A 40 11.182 -7.095 1.835 1.00 0.00 C ATOM 573 CG ARG A 40 11.968 -7.892 0.805 1.00 0.00 C ATOM 574 CD ARG A 40 13.136 -8.626 1.442 1.00 0.00 C ATOM 575 NE ARG A 40 12.698 -9.549 2.486 1.00 0.00 N ATOM 576 CZ ARG A 40 13.533 -10.274 3.223 1.00 0.00 C ATOM 577 NH1 ARG A 40 14.842 -10.184 3.032 1.00 0.00 N ATOM 578 NH2 ARG A 40 13.058 -11.092 4.155 1.00 0.00 N ATOM 0 H ARG A 40 8.864 -7.787 1.330 1.00 0.00 H new ATOM 0 HA ARG A 40 9.943 -5.342 1.929 1.00 0.00 H new ATOM 0 HB2 ARG A 40 11.878 -6.521 2.447 1.00 0.00 H new ATOM 0 HB3 ARG A 40 10.667 -7.787 2.502 1.00 0.00 H new ATOM 0 HG2 ARG A 40 11.308 -8.610 0.318 1.00 0.00 H new ATOM 0 HG3 ARG A 40 12.338 -7.221 0.029 1.00 0.00 H new ATOM 0 HD2 ARG A 40 13.679 -9.178 0.675 1.00 0.00 H new ATOM 0 HD3 ARG A 40 13.831 -7.902 1.867 1.00 0.00 H new ATOM 0 HE ARG A 40 11.697 -9.642 2.659 1.00 0.00 H new ATOM 0 HH11 ARG A 40 15.211 -9.557 2.317 1.00 0.00 H new ATOM 0 HH12 ARG A 40 15.480 -10.742 3.600 1.00 0.00 H new ATOM 0 HH21 ARG A 40 12.052 -11.164 4.305 1.00 0.00 H new ATOM 0 HH22 ARG A 40 13.699 -11.648 4.720 1.00 0.00 H new ATOM 592 N SER A 41 10.569 -6.223 -1.170 1.00 0.00 N ATOM 593 CA SER A 41 11.069 -5.742 -2.453 1.00 0.00 C ATOM 594 C SER A 41 10.399 -4.427 -2.839 1.00 0.00 C ATOM 595 O SER A 41 11.033 -3.371 -2.835 1.00 0.00 O ATOM 596 CB SER A 41 10.829 -6.788 -3.543 1.00 0.00 C ATOM 597 OG SER A 41 11.359 -6.362 -4.785 1.00 0.00 O ATOM 0 H SER A 41 10.101 -7.128 -1.212 1.00 0.00 H new ATOM 0 HA SER A 41 12.141 -5.569 -2.355 1.00 0.00 H new ATOM 0 HB2 SER A 41 11.289 -7.732 -3.253 1.00 0.00 H new ATOM 0 HB3 SER A 41 9.760 -6.973 -3.645 1.00 0.00 H new ATOM 0 HG SER A 41 11.194 -7.049 -5.464 1.00 0.00 H new ATOM 603 N ILE A 42 9.115 -4.500 -3.171 1.00 0.00 N ATOM 604 CA ILE A 42 8.358 -3.315 -3.559 1.00 0.00 C ATOM 605 C ILE A 42 8.703 -2.127 -2.668 1.00 0.00 C ATOM 606 O ILE A 42 8.876 -1.008 -3.150 1.00 0.00 O ATOM 607 CB ILE A 42 6.841 -3.570 -3.491 1.00 0.00 C ATOM 608 CG1 ILE A 42 6.451 -4.716 -4.427 1.00 0.00 C ATOM 609 CG2 ILE A 42 6.076 -2.304 -3.847 1.00 0.00 C ATOM 610 CD1 ILE A 42 5.030 -5.196 -4.235 1.00 0.00 C ATOM 0 H ILE A 42 8.577 -5.366 -3.179 1.00 0.00 H new ATOM 0 HA ILE A 42 8.634 -3.086 -4.588 1.00 0.00 H new ATOM 0 HB ILE A 42 6.580 -3.855 -2.472 1.00 0.00 H new ATOM 0 HG12 ILE A 42 6.580 -4.391 -5.459 1.00 0.00 H new ATOM 0 HG13 ILE A 42 7.133 -5.552 -4.269 1.00 0.00 H new ATOM 0 HG21 ILE A 42 5.005 -2.499 -3.795 1.00 0.00 H new ATOM 0 HG22 ILE A 42 6.335 -1.512 -3.144 1.00 0.00 H new ATOM 0 HG23 ILE A 42 6.339 -1.992 -4.858 1.00 0.00 H new ATOM 0 HD11 ILE A 42 4.823 -6.009 -4.931 1.00 0.00 H new ATOM 0 HD12 ILE A 42 4.901 -5.552 -3.213 1.00 0.00 H new ATOM 0 HD13 ILE A 42 4.340 -4.373 -4.422 1.00 0.00 H new ATOM 622 N MET A 43 8.805 -2.379 -1.367 1.00 0.00 N ATOM 623 CA MET A 43 9.133 -1.329 -0.410 1.00 0.00 C ATOM 624 C MET A 43 10.433 -0.630 -0.793 1.00 0.00 C ATOM 625 O MET A 43 10.505 0.599 -0.814 1.00 0.00 O ATOM 626 CB MET A 43 9.252 -1.914 0.999 1.00 0.00 C ATOM 627 CG MET A 43 7.910 -2.210 1.649 1.00 0.00 C ATOM 628 SD MET A 43 7.973 -2.112 3.449 1.00 0.00 S ATOM 629 CE MET A 43 9.385 -3.158 3.795 1.00 0.00 C ATOM 0 H MET A 43 8.665 -3.300 -0.952 1.00 0.00 H new ATOM 0 HA MET A 43 8.328 -0.594 -0.425 1.00 0.00 H new ATOM 0 HB2 MET A 43 9.835 -2.834 0.954 1.00 0.00 H new ATOM 0 HB3 MET A 43 9.805 -1.216 1.628 1.00 0.00 H new ATOM 0 HG2 MET A 43 7.167 -1.505 1.276 1.00 0.00 H new ATOM 0 HG3 MET A 43 7.580 -3.206 1.355 1.00 0.00 H new ATOM 0 HE1 MET A 43 9.607 -3.128 4.862 1.00 0.00 H new ATOM 0 HE2 MET A 43 9.160 -4.183 3.500 1.00 0.00 H new ATOM 0 HE3 MET A 43 10.249 -2.801 3.234 1.00 0.00 H new ATOM 639 N GLU A 44 11.458 -1.421 -1.095 1.00 0.00 N ATOM 640 CA GLU A 44 12.756 -0.876 -1.477 1.00 0.00 C ATOM 641 C GLU A 44 12.750 -0.426 -2.935 1.00 0.00 C ATOM 642 O GLU A 44 13.006 0.740 -3.236 1.00 0.00 O ATOM 643 CB GLU A 44 13.856 -1.917 -1.258 1.00 0.00 C ATOM 644 CG GLU A 44 15.215 -1.311 -0.951 1.00 0.00 C ATOM 645 CD GLU A 44 15.359 -0.908 0.503 1.00 0.00 C ATOM 646 OE1 GLU A 44 14.338 -0.530 1.117 1.00 0.00 O ATOM 647 OE2 GLU A 44 16.490 -0.969 1.028 1.00 0.00 O ATOM 0 H GLU A 44 11.415 -2.440 -1.083 1.00 0.00 H new ATOM 0 HA GLU A 44 12.956 -0.009 -0.848 1.00 0.00 H new ATOM 0 HB2 GLU A 44 13.566 -2.572 -0.437 1.00 0.00 H new ATOM 0 HB3 GLU A 44 13.938 -2.540 -2.149 1.00 0.00 H new ATOM 0 HG2 GLU A 44 15.995 -2.030 -1.204 1.00 0.00 H new ATOM 0 HG3 GLU A 44 15.370 -0.437 -1.583 1.00 0.00 H new ATOM 654 N GLU A 45 12.455 -1.359 -3.835 1.00 0.00 N ATOM 655 CA GLU A 45 12.417 -1.058 -5.262 1.00 0.00 C ATOM 656 C GLU A 45 11.734 0.282 -5.517 1.00 0.00 C ATOM 657 O GLU A 45 12.251 1.124 -6.252 1.00 0.00 O ATOM 658 CB GLU A 45 11.686 -2.168 -6.020 1.00 0.00 C ATOM 659 CG GLU A 45 12.353 -3.528 -5.901 1.00 0.00 C ATOM 660 CD GLU A 45 13.696 -3.582 -6.603 1.00 0.00 C ATOM 661 OE1 GLU A 45 13.727 -3.410 -7.839 1.00 0.00 O ATOM 662 OE2 GLU A 45 14.716 -3.798 -5.916 1.00 0.00 O ATOM 0 H GLU A 45 12.239 -2.328 -3.602 1.00 0.00 H new ATOM 0 HA GLU A 45 13.444 -0.997 -5.622 1.00 0.00 H new ATOM 0 HB2 GLU A 45 10.665 -2.240 -5.646 1.00 0.00 H new ATOM 0 HB3 GLU A 45 11.621 -1.895 -7.073 1.00 0.00 H new ATOM 0 HG2 GLU A 45 12.488 -3.771 -4.847 1.00 0.00 H new ATOM 0 HG3 GLU A 45 11.696 -4.289 -6.322 1.00 0.00 H new ATOM 669 N CYS A 46 10.570 0.472 -4.905 1.00 0.00 N ATOM 670 CA CYS A 46 9.815 1.710 -5.067 1.00 0.00 C ATOM 671 C CYS A 46 10.622 2.907 -4.578 1.00 0.00 C ATOM 672 O CYS A 46 10.652 3.954 -5.225 1.00 0.00 O ATOM 673 CB CYS A 46 8.491 1.627 -4.304 1.00 0.00 C ATOM 674 SG CYS A 46 7.289 0.490 -5.034 1.00 0.00 S ATOM 0 H CYS A 46 10.129 -0.214 -4.293 1.00 0.00 H new ATOM 0 HA CYS A 46 9.608 1.844 -6.129 1.00 0.00 H new ATOM 0 HB2 CYS A 46 8.693 1.316 -3.279 1.00 0.00 H new ATOM 0 HB3 CYS A 46 8.050 2.622 -4.254 1.00 0.00 H new ATOM 0 HG CYS A 46 6.143 1.091 -5.158 1.00 0.00 H new ATOM 680 N GLY A 47 11.276 2.747 -3.432 1.00 0.00 N ATOM 681 CA GLY A 47 12.074 3.824 -2.875 1.00 0.00 C ATOM 682 C GLY A 47 12.434 3.587 -1.422 1.00 0.00 C ATOM 683 O GLY A 47 13.578 3.789 -1.018 1.00 0.00 O ATOM 0 H GLY A 47 11.268 1.890 -2.879 1.00 0.00 H new ATOM 0 HA2 GLY A 47 12.988 3.935 -3.459 1.00 0.00 H new ATOM 0 HA3 GLY A 47 11.525 4.761 -2.962 1.00 0.00 H new ATOM 687 N GLY A 48 11.453 3.161 -0.633 1.00 0.00 N ATOM 688 CA GLY A 48 11.691 2.907 0.776 1.00 0.00 C ATOM 689 C GLY A 48 10.462 3.152 1.626 1.00 0.00 C ATOM 690 O GLY A 48 10.531 3.830 2.652 1.00 0.00 O ATOM 0 H GLY A 48 10.497 2.987 -0.944 1.00 0.00 H new ATOM 0 HA2 GLY A 48 12.018 1.875 0.905 1.00 0.00 H new ATOM 0 HA3 GLY A 48 12.503 3.545 1.125 1.00 0.00 H new ATOM 694 N VAL A 49 9.329 2.602 1.200 1.00 0.00 N ATOM 695 CA VAL A 49 8.077 2.765 1.929 1.00 0.00 C ATOM 696 C VAL A 49 7.887 1.651 2.953 1.00 0.00 C ATOM 697 O VAL A 49 8.477 0.577 2.834 1.00 0.00 O ATOM 698 CB VAL A 49 6.868 2.780 0.974 1.00 0.00 C ATOM 699 CG1 VAL A 49 6.951 3.968 0.028 1.00 0.00 C ATOM 700 CG2 VAL A 49 6.787 1.474 0.198 1.00 0.00 C ATOM 0 H VAL A 49 9.253 2.039 0.353 1.00 0.00 H new ATOM 0 HA VAL A 49 8.135 3.723 2.445 1.00 0.00 H new ATOM 0 HB VAL A 49 5.959 2.881 1.567 1.00 0.00 H new ATOM 0 HG11 VAL A 49 6.089 3.963 -0.639 1.00 0.00 H new ATOM 0 HG12 VAL A 49 6.958 4.893 0.605 1.00 0.00 H new ATOM 0 HG13 VAL A 49 7.866 3.901 -0.561 1.00 0.00 H new ATOM 0 HG21 VAL A 49 5.927 1.501 -0.472 1.00 0.00 H new ATOM 0 HG22 VAL A 49 7.698 1.341 -0.386 1.00 0.00 H new ATOM 0 HG23 VAL A 49 6.678 0.643 0.895 1.00 0.00 H new ATOM 710 N HIS A 50 7.061 1.914 3.960 1.00 0.00 N ATOM 711 CA HIS A 50 6.792 0.933 5.006 1.00 0.00 C ATOM 712 C HIS A 50 5.316 0.549 5.024 1.00 0.00 C ATOM 713 O HIS A 50 4.466 1.335 5.440 1.00 0.00 O ATOM 714 CB HIS A 50 7.204 1.486 6.371 1.00 0.00 C ATOM 715 CG HIS A 50 8.597 2.036 6.398 1.00 0.00 C ATOM 716 ND1 HIS A 50 9.463 1.841 7.453 1.00 0.00 N ATOM 717 CD2 HIS A 50 9.274 2.778 5.490 1.00 0.00 C ATOM 718 CE1 HIS A 50 10.612 2.441 7.195 1.00 0.00 C ATOM 719 NE2 HIS A 50 10.523 3.016 6.010 1.00 0.00 N ATOM 0 H HIS A 50 6.566 2.798 4.074 1.00 0.00 H new ATOM 0 HA HIS A 50 7.379 0.040 4.792 1.00 0.00 H new ATOM 0 HB2 HIS A 50 6.506 2.271 6.661 1.00 0.00 H new ATOM 0 HB3 HIS A 50 7.120 0.694 7.115 1.00 0.00 H new ATOM 0 HD2 HIS A 50 8.902 3.119 4.535 1.00 0.00 H new ATOM 0 HE1 HIS A 50 11.476 2.458 7.843 1.00 0.00 H new ATOM 0 HE2 HIS A 50 11.262 3.551 5.554 1.00 0.00 H new ATOM 727 N ILE A 51 5.020 -0.664 4.570 1.00 0.00 N ATOM 728 CA ILE A 51 3.646 -1.152 4.535 1.00 0.00 C ATOM 729 C ILE A 51 3.269 -1.827 5.848 1.00 0.00 C ATOM 730 O ILE A 51 4.030 -2.632 6.387 1.00 0.00 O ATOM 731 CB ILE A 51 3.433 -2.147 3.379 1.00 0.00 C ATOM 732 CG1 ILE A 51 3.898 -1.534 2.056 1.00 0.00 C ATOM 733 CG2 ILE A 51 1.968 -2.553 3.294 1.00 0.00 C ATOM 734 CD1 ILE A 51 4.104 -2.554 0.958 1.00 0.00 C ATOM 0 H ILE A 51 5.712 -1.327 4.221 1.00 0.00 H new ATOM 0 HA ILE A 51 3.006 -0.284 4.380 1.00 0.00 H new ATOM 0 HB ILE A 51 4.028 -3.039 3.573 1.00 0.00 H new ATOM 0 HG12 ILE A 51 3.162 -0.800 1.726 1.00 0.00 H new ATOM 0 HG13 ILE A 51 4.832 -0.997 2.222 1.00 0.00 H new ATOM 0 HG21 ILE A 51 1.832 -3.256 2.472 1.00 0.00 H new ATOM 0 HG22 ILE A 51 1.666 -3.025 4.229 1.00 0.00 H new ATOM 0 HG23 ILE A 51 1.355 -1.669 3.119 1.00 0.00 H new ATOM 0 HD11 ILE A 51 4.433 -2.049 0.050 1.00 0.00 H new ATOM 0 HD12 ILE A 51 4.861 -3.274 1.268 1.00 0.00 H new ATOM 0 HD13 ILE A 51 3.166 -3.075 0.764 1.00 0.00 H new ATOM 746 N HIS A 52 2.089 -1.494 6.360 1.00 0.00 N ATOM 747 CA HIS A 52 1.608 -2.070 7.611 1.00 0.00 C ATOM 748 C HIS A 52 0.403 -2.974 7.366 1.00 0.00 C ATOM 749 O HIS A 52 -0.624 -2.530 6.852 1.00 0.00 O ATOM 750 CB HIS A 52 1.237 -0.962 8.598 1.00 0.00 C ATOM 751 CG HIS A 52 2.423 -0.249 9.171 1.00 0.00 C ATOM 752 ND1 HIS A 52 2.927 -0.513 10.426 1.00 0.00 N ATOM 753 CD2 HIS A 52 3.207 0.725 8.650 1.00 0.00 C ATOM 754 CE1 HIS A 52 3.967 0.267 10.655 1.00 0.00 C ATOM 755 NE2 HIS A 52 4.158 1.028 9.592 1.00 0.00 N ATOM 0 H HIS A 52 1.448 -0.828 5.928 1.00 0.00 H new ATOM 0 HA HIS A 52 2.411 -2.672 8.037 1.00 0.00 H new ATOM 0 HB2 HIS A 52 0.596 -0.238 8.095 1.00 0.00 H new ATOM 0 HB3 HIS A 52 0.654 -1.392 9.412 1.00 0.00 H new ATOM 0 HD2 HIS A 52 3.103 1.178 7.675 1.00 0.00 H new ATOM 0 HE1 HIS A 52 4.560 0.281 11.557 1.00 0.00 H new ATOM 0 HE2 HIS A 52 4.893 1.727 9.488 1.00 0.00 H new ATOM 763 N PHE A 53 0.536 -4.243 7.736 1.00 0.00 N ATOM 764 CA PHE A 53 -0.540 -5.210 7.555 1.00 0.00 C ATOM 765 C PHE A 53 -1.126 -5.630 8.900 1.00 0.00 C ATOM 766 O PHE A 53 -0.406 -5.959 9.843 1.00 0.00 O ATOM 767 CB PHE A 53 -0.029 -6.438 6.801 1.00 0.00 C ATOM 768 CG PHE A 53 -0.072 -6.287 5.307 1.00 0.00 C ATOM 769 CD1 PHE A 53 -1.270 -6.397 4.621 1.00 0.00 C ATOM 770 CD2 PHE A 53 1.086 -6.035 4.590 1.00 0.00 C ATOM 771 CE1 PHE A 53 -1.312 -6.259 3.246 1.00 0.00 C ATOM 772 CE2 PHE A 53 1.050 -5.894 3.215 1.00 0.00 C ATOM 773 CZ PHE A 53 -0.151 -6.007 2.543 1.00 0.00 C ATOM 0 H PHE A 53 1.379 -4.626 8.163 1.00 0.00 H new ATOM 0 HA PHE A 53 -1.327 -4.735 6.969 1.00 0.00 H new ATOM 0 HB2 PHE A 53 0.997 -6.642 7.108 1.00 0.00 H new ATOM 0 HB3 PHE A 53 -0.625 -7.304 7.088 1.00 0.00 H new ATOM 0 HD1 PHE A 53 -2.182 -6.593 5.166 1.00 0.00 H new ATOM 0 HD2 PHE A 53 2.028 -5.948 5.111 1.00 0.00 H new ATOM 0 HE1 PHE A 53 -2.252 -6.348 2.722 1.00 0.00 H new ATOM 0 HE2 PHE A 53 1.960 -5.696 2.668 1.00 0.00 H new ATOM 0 HZ PHE A 53 -0.182 -5.898 1.469 1.00 0.00 H new ATOM 783 N PRO A 54 -2.464 -5.618 8.991 1.00 0.00 N ATOM 784 CA PRO A 54 -3.177 -5.996 10.215 1.00 0.00 C ATOM 785 C PRO A 54 -3.072 -7.488 10.510 1.00 0.00 C ATOM 786 O PRO A 54 -2.809 -8.291 9.615 1.00 0.00 O ATOM 787 CB PRO A 54 -4.628 -5.611 9.913 1.00 0.00 C ATOM 788 CG PRO A 54 -4.731 -5.657 8.428 1.00 0.00 C ATOM 789 CD PRO A 54 -3.384 -5.236 7.906 1.00 0.00 C ATOM 0 HA PRO A 54 -2.765 -5.503 11.096 1.00 0.00 H new ATOM 0 HB2 PRO A 54 -5.327 -6.305 10.380 1.00 0.00 H new ATOM 0 HB3 PRO A 54 -4.862 -4.617 10.295 1.00 0.00 H new ATOM 0 HG2 PRO A 54 -4.986 -6.660 8.085 1.00 0.00 H new ATOM 0 HG3 PRO A 54 -5.514 -4.989 8.070 1.00 0.00 H new ATOM 0 HD2 PRO A 54 -3.138 -5.743 6.973 1.00 0.00 H new ATOM 0 HD3 PRO A 54 -3.347 -4.165 7.706 1.00 0.00 H new ATOM 797 N VAL A 55 -3.279 -7.853 11.772 1.00 0.00 N ATOM 798 CA VAL A 55 -3.209 -9.249 12.185 1.00 0.00 C ATOM 799 C VAL A 55 -4.533 -9.963 11.937 1.00 0.00 C ATOM 800 O VAL A 55 -5.603 -9.410 12.187 1.00 0.00 O ATOM 801 CB VAL A 55 -2.842 -9.376 13.676 1.00 0.00 C ATOM 802 CG1 VAL A 55 -2.419 -10.800 14.002 1.00 0.00 C ATOM 803 CG2 VAL A 55 -1.744 -8.388 14.039 1.00 0.00 C ATOM 0 H VAL A 55 -3.496 -7.201 12.525 1.00 0.00 H new ATOM 0 HA VAL A 55 -2.429 -9.717 11.585 1.00 0.00 H new ATOM 0 HB VAL A 55 -3.724 -9.140 14.272 1.00 0.00 H new ATOM 0 HG11 VAL A 55 -2.163 -10.871 15.059 1.00 0.00 H new ATOM 0 HG12 VAL A 55 -3.239 -11.483 13.780 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -1.551 -11.068 13.400 1.00 0.00 H new ATOM 0 HG21 VAL A 55 -1.497 -8.491 15.096 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -0.858 -8.591 13.437 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -2.089 -7.373 13.844 1.00 0.00 H new ATOM 813 N GLU A 56 -4.452 -11.195 11.443 1.00 0.00 N ATOM 814 CA GLU A 56 -5.645 -11.983 11.160 1.00 0.00 C ATOM 815 C GLU A 56 -6.588 -11.991 12.359 1.00 0.00 C ATOM 816 O GLU A 56 -7.794 -11.793 12.216 1.00 0.00 O ATOM 817 CB GLU A 56 -5.259 -13.417 10.790 1.00 0.00 C ATOM 818 CG GLU A 56 -4.350 -14.085 11.810 1.00 0.00 C ATOM 819 CD GLU A 56 -3.871 -15.450 11.357 1.00 0.00 C ATOM 820 OE1 GLU A 56 -4.721 -16.345 11.166 1.00 0.00 O ATOM 821 OE2 GLU A 56 -2.645 -15.624 11.193 1.00 0.00 O ATOM 0 H GLU A 56 -3.573 -11.668 11.231 1.00 0.00 H new ATOM 0 HA GLU A 56 -6.162 -11.524 10.317 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -6.166 -14.012 10.679 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -4.761 -13.412 9.820 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -3.488 -13.445 11.997 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -4.883 -14.186 12.755 1.00 0.00 H new ATOM 828 N GLY A 57 -6.030 -12.223 13.543 1.00 0.00 N ATOM 829 CA GLY A 57 -6.835 -12.254 14.751 1.00 0.00 C ATOM 830 C GLY A 57 -7.959 -11.238 14.723 1.00 0.00 C ATOM 831 O GLY A 57 -9.115 -11.574 14.984 1.00 0.00 O ATOM 0 H GLY A 57 -5.034 -12.390 13.688 1.00 0.00 H new ATOM 0 HA2 GLY A 57 -7.254 -13.252 14.879 1.00 0.00 H new ATOM 0 HA3 GLY A 57 -6.197 -12.063 15.614 1.00 0.00 H new ATOM 835 N SER A 58 -7.622 -9.992 14.408 1.00 0.00 N ATOM 836 CA SER A 58 -8.612 -8.922 14.352 1.00 0.00 C ATOM 837 C SER A 58 -9.513 -9.078 13.132 1.00 0.00 C ATOM 838 O SER A 58 -10.730 -9.207 13.257 1.00 0.00 O ATOM 839 CB SER A 58 -7.918 -7.559 14.318 1.00 0.00 C ATOM 840 OG SER A 58 -7.701 -7.064 15.628 1.00 0.00 O ATOM 0 H SER A 58 -6.671 -9.698 14.187 1.00 0.00 H new ATOM 0 HA SER A 58 -9.230 -8.985 15.247 1.00 0.00 H new ATOM 0 HB2 SER A 58 -6.965 -7.646 13.796 1.00 0.00 H new ATOM 0 HB3 SER A 58 -8.527 -6.852 13.755 1.00 0.00 H new ATOM 0 HG SER A 58 -7.255 -6.193 15.579 1.00 0.00 H new ATOM 846 N GLY A 59 -8.905 -9.066 11.949 1.00 0.00 N ATOM 847 CA GLY A 59 -9.667 -9.206 10.722 1.00 0.00 C ATOM 848 C GLY A 59 -9.866 -7.884 10.008 1.00 0.00 C ATOM 849 O GLY A 59 -10.925 -7.635 9.434 1.00 0.00 O ATOM 0 H GLY A 59 -7.899 -8.962 11.819 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -9.154 -9.901 10.057 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -10.640 -9.642 10.950 1.00 0.00 H new ATOM 853 N SER A 60 -8.845 -7.033 10.046 1.00 0.00 N ATOM 854 CA SER A 60 -8.915 -5.727 9.402 1.00 0.00 C ATOM 855 C SER A 60 -8.430 -5.807 7.958 1.00 0.00 C ATOM 856 O SER A 60 -7.283 -6.168 7.695 1.00 0.00 O ATOM 857 CB SER A 60 -8.077 -4.708 10.178 1.00 0.00 C ATOM 858 OG SER A 60 -8.231 -3.406 9.639 1.00 0.00 O ATOM 0 H SER A 60 -7.960 -7.225 10.516 1.00 0.00 H new ATOM 0 HA SER A 60 -9.956 -5.405 9.400 1.00 0.00 H new ATOM 0 HB2 SER A 60 -8.376 -4.709 11.226 1.00 0.00 H new ATOM 0 HB3 SER A 60 -7.026 -4.996 10.146 1.00 0.00 H new ATOM 0 HG SER A 60 -7.687 -2.773 10.153 1.00 0.00 H new ATOM 864 N ASP A 61 -9.313 -5.466 7.025 1.00 0.00 N ATOM 865 CA ASP A 61 -8.977 -5.498 5.607 1.00 0.00 C ATOM 866 C ASP A 61 -8.435 -4.148 5.146 1.00 0.00 C ATOM 867 O ASP A 61 -8.624 -3.749 3.997 1.00 0.00 O ATOM 868 CB ASP A 61 -10.205 -5.878 4.778 1.00 0.00 C ATOM 869 CG ASP A 61 -10.972 -7.038 5.379 1.00 0.00 C ATOM 870 OD1 ASP A 61 -10.377 -8.125 5.535 1.00 0.00 O ATOM 871 OD2 ASP A 61 -12.168 -6.861 5.692 1.00 0.00 O ATOM 0 H ASP A 61 -10.266 -5.164 7.226 1.00 0.00 H new ATOM 0 HA ASP A 61 -8.202 -6.250 5.460 1.00 0.00 H new ATOM 0 HB2 ASP A 61 -10.865 -5.014 4.694 1.00 0.00 H new ATOM 0 HB3 ASP A 61 -9.891 -6.138 3.767 1.00 0.00 H new ATOM 876 N THR A 62 -7.760 -3.447 6.053 1.00 0.00 N ATOM 877 CA THR A 62 -7.193 -2.141 5.741 1.00 0.00 C ATOM 878 C THR A 62 -5.672 -2.160 5.857 1.00 0.00 C ATOM 879 O THR A 62 -5.125 -2.458 6.917 1.00 0.00 O ATOM 880 CB THR A 62 -7.753 -1.048 6.672 1.00 0.00 C ATOM 881 OG1 THR A 62 -9.175 -0.962 6.524 1.00 0.00 O ATOM 882 CG2 THR A 62 -7.123 0.301 6.362 1.00 0.00 C ATOM 0 H THR A 62 -7.593 -3.762 7.009 1.00 0.00 H new ATOM 0 HA THR A 62 -7.474 -1.912 4.713 1.00 0.00 H new ATOM 0 HB THR A 62 -7.510 -1.316 7.700 1.00 0.00 H new ATOM 0 HG1 THR A 62 -9.524 -0.267 7.120 1.00 0.00 H new ATOM 0 HG21 THR A 62 -7.534 1.057 7.032 1.00 0.00 H new ATOM 0 HG22 THR A 62 -6.044 0.239 6.502 1.00 0.00 H new ATOM 0 HG23 THR A 62 -7.339 0.575 5.329 1.00 0.00 H new ATOM 890 N VAL A 63 -4.996 -1.839 4.758 1.00 0.00 N ATOM 891 CA VAL A 63 -3.539 -1.818 4.737 1.00 0.00 C ATOM 892 C VAL A 63 -3.010 -0.388 4.701 1.00 0.00 C ATOM 893 O VAL A 63 -3.195 0.328 3.717 1.00 0.00 O ATOM 894 CB VAL A 63 -2.983 -2.590 3.525 1.00 0.00 C ATOM 895 CG1 VAL A 63 -1.463 -2.556 3.522 1.00 0.00 C ATOM 896 CG2 VAL A 63 -3.493 -4.023 3.528 1.00 0.00 C ATOM 0 H VAL A 63 -5.434 -1.590 3.871 1.00 0.00 H new ATOM 0 HA VAL A 63 -3.203 -2.304 5.653 1.00 0.00 H new ATOM 0 HB VAL A 63 -3.335 -2.105 2.614 1.00 0.00 H new ATOM 0 HG11 VAL A 63 -1.088 -3.106 2.659 1.00 0.00 H new ATOM 0 HG12 VAL A 63 -1.122 -1.522 3.469 1.00 0.00 H new ATOM 0 HG13 VAL A 63 -1.087 -3.015 4.436 1.00 0.00 H new ATOM 0 HG21 VAL A 63 -3.091 -4.554 2.665 1.00 0.00 H new ATOM 0 HG22 VAL A 63 -3.172 -4.521 4.443 1.00 0.00 H new ATOM 0 HG23 VAL A 63 -4.582 -4.022 3.478 1.00 0.00 H new ATOM 906 N VAL A 64 -2.351 0.021 5.780 1.00 0.00 N ATOM 907 CA VAL A 64 -1.794 1.365 5.872 1.00 0.00 C ATOM 908 C VAL A 64 -0.367 1.406 5.337 1.00 0.00 C ATOM 909 O VAL A 64 0.478 0.605 5.735 1.00 0.00 O ATOM 910 CB VAL A 64 -1.801 1.878 7.324 1.00 0.00 C ATOM 911 CG1 VAL A 64 -1.433 3.354 7.372 1.00 0.00 C ATOM 912 CG2 VAL A 64 -3.159 1.639 7.967 1.00 0.00 C ATOM 0 H VAL A 64 -2.190 -0.559 6.603 1.00 0.00 H new ATOM 0 HA VAL A 64 -2.426 2.012 5.263 1.00 0.00 H new ATOM 0 HB VAL A 64 -1.053 1.323 7.890 1.00 0.00 H new ATOM 0 HG11 VAL A 64 -1.443 3.698 8.406 1.00 0.00 H new ATOM 0 HG12 VAL A 64 -0.437 3.494 6.953 1.00 0.00 H new ATOM 0 HG13 VAL A 64 -2.155 3.928 6.791 1.00 0.00 H new ATOM 0 HG21 VAL A 64 -3.146 2.008 8.993 1.00 0.00 H new ATOM 0 HG22 VAL A 64 -3.927 2.167 7.402 1.00 0.00 H new ATOM 0 HG23 VAL A 64 -3.378 0.571 7.968 1.00 0.00 H new ATOM 922 N ILE A 65 -0.107 2.345 4.434 1.00 0.00 N ATOM 923 CA ILE A 65 1.219 2.492 3.845 1.00 0.00 C ATOM 924 C ILE A 65 1.837 3.837 4.211 1.00 0.00 C ATOM 925 O ILE A 65 1.151 4.859 4.241 1.00 0.00 O ATOM 926 CB ILE A 65 1.172 2.361 2.311 1.00 0.00 C ATOM 927 CG1 ILE A 65 0.502 1.045 1.910 1.00 0.00 C ATOM 928 CG2 ILE A 65 2.575 2.448 1.729 1.00 0.00 C ATOM 929 CD1 ILE A 65 0.260 0.920 0.422 1.00 0.00 C ATOM 0 H ILE A 65 -0.796 3.015 4.094 1.00 0.00 H new ATOM 0 HA ILE A 65 1.835 1.689 4.251 1.00 0.00 H new ATOM 0 HB ILE A 65 0.582 3.184 1.908 1.00 0.00 H new ATOM 0 HG12 ILE A 65 1.125 0.214 2.240 1.00 0.00 H new ATOM 0 HG13 ILE A 65 -0.450 0.957 2.434 1.00 0.00 H new ATOM 0 HG21 ILE A 65 2.525 2.354 0.644 1.00 0.00 H new ATOM 0 HG22 ILE A 65 3.018 3.409 1.990 1.00 0.00 H new ATOM 0 HG23 ILE A 65 3.188 1.644 2.135 1.00 0.00 H new ATOM 0 HD11 ILE A 65 -0.217 -0.037 0.210 1.00 0.00 H new ATOM 0 HD12 ILE A 65 -0.388 1.731 0.089 1.00 0.00 H new ATOM 0 HD13 ILE A 65 1.211 0.976 -0.107 1.00 0.00 H new ATOM 941 N ARG A 66 3.137 3.828 4.487 1.00 0.00 N ATOM 942 CA ARG A 66 3.848 5.048 4.851 1.00 0.00 C ATOM 943 C ARG A 66 5.025 5.293 3.910 1.00 0.00 C ATOM 944 O ARG A 66 5.640 4.350 3.412 1.00 0.00 O ATOM 945 CB ARG A 66 4.345 4.963 6.294 1.00 0.00 C ATOM 946 CG ARG A 66 3.335 5.459 7.317 1.00 0.00 C ATOM 947 CD ARG A 66 3.502 4.751 8.653 1.00 0.00 C ATOM 948 NE ARG A 66 4.454 5.438 9.521 1.00 0.00 N ATOM 949 CZ ARG A 66 4.246 6.647 10.028 1.00 0.00 C ATOM 950 NH1 ARG A 66 3.124 7.300 9.755 1.00 0.00 N ATOM 951 NH2 ARG A 66 5.160 7.207 10.810 1.00 0.00 N ATOM 0 H ARG A 66 3.719 2.991 4.466 1.00 0.00 H new ATOM 0 HA ARG A 66 3.153 5.883 4.762 1.00 0.00 H new ATOM 0 HB2 ARG A 66 4.601 3.928 6.521 1.00 0.00 H new ATOM 0 HB3 ARG A 66 5.261 5.546 6.389 1.00 0.00 H new ATOM 0 HG2 ARG A 66 3.454 6.534 7.456 1.00 0.00 H new ATOM 0 HG3 ARG A 66 2.325 5.296 6.941 1.00 0.00 H new ATOM 0 HD2 ARG A 66 2.536 4.688 9.153 1.00 0.00 H new ATOM 0 HD3 ARG A 66 3.840 3.729 8.482 1.00 0.00 H new ATOM 0 HE ARG A 66 5.327 4.963 9.750 1.00 0.00 H new ATOM 0 HH11 ARG A 66 2.419 6.873 9.154 1.00 0.00 H new ATOM 0 HH12 ARG A 66 2.967 8.229 10.146 1.00 0.00 H new ATOM 0 HH21 ARG A 66 6.024 6.708 11.022 1.00 0.00 H new ATOM 0 HH22 ARG A 66 4.999 8.136 11.199 1.00 0.00 H new ATOM 965 N GLY A 67 5.331 6.564 3.671 1.00 0.00 N ATOM 966 CA GLY A 67 6.432 6.909 2.790 1.00 0.00 C ATOM 967 C GLY A 67 6.097 8.064 1.868 1.00 0.00 C ATOM 968 O GLY A 67 5.030 8.671 1.961 1.00 0.00 O ATOM 0 H GLY A 67 4.837 7.361 4.071 1.00 0.00 H new ATOM 0 HA2 GLY A 67 7.305 7.168 3.389 1.00 0.00 H new ATOM 0 HA3 GLY A 67 6.702 6.038 2.193 1.00 0.00 H new ATOM 972 N PRO A 68 7.025 8.385 0.954 1.00 0.00 N ATOM 973 CA PRO A 68 6.846 9.479 -0.006 1.00 0.00 C ATOM 974 C PRO A 68 5.782 9.163 -1.053 1.00 0.00 C ATOM 975 O PRO A 68 5.888 8.176 -1.780 1.00 0.00 O ATOM 976 CB PRO A 68 8.223 9.603 -0.663 1.00 0.00 C ATOM 977 CG PRO A 68 8.837 8.254 -0.514 1.00 0.00 C ATOM 978 CD PRO A 68 8.320 7.705 0.787 1.00 0.00 C ATOM 0 HA PRO A 68 6.506 10.395 0.478 1.00 0.00 H new ATOM 0 HB2 PRO A 68 8.137 9.885 -1.712 1.00 0.00 H new ATOM 0 HB3 PRO A 68 8.827 10.369 -0.176 1.00 0.00 H new ATOM 0 HG2 PRO A 68 8.563 7.607 -1.347 1.00 0.00 H new ATOM 0 HG3 PRO A 68 9.925 8.319 -0.505 1.00 0.00 H new ATOM 0 HD2 PRO A 68 8.203 6.622 0.748 1.00 0.00 H new ATOM 0 HD3 PRO A 68 8.998 7.923 1.613 1.00 0.00 H new ATOM 986 N SER A 69 4.759 10.007 -1.122 1.00 0.00 N ATOM 987 CA SER A 69 3.674 9.816 -2.079 1.00 0.00 C ATOM 988 C SER A 69 4.212 9.323 -3.418 1.00 0.00 C ATOM 989 O SER A 69 3.766 8.301 -3.942 1.00 0.00 O ATOM 990 CB SER A 69 2.902 11.122 -2.275 1.00 0.00 C ATOM 991 OG SER A 69 3.775 12.183 -2.625 1.00 0.00 O ATOM 0 H SER A 69 4.658 10.830 -0.528 1.00 0.00 H new ATOM 0 HA SER A 69 2.998 9.060 -1.679 1.00 0.00 H new ATOM 0 HB2 SER A 69 2.152 10.991 -3.055 1.00 0.00 H new ATOM 0 HB3 SER A 69 2.368 11.373 -1.359 1.00 0.00 H new ATOM 0 HG SER A 69 3.257 13.006 -2.746 1.00 0.00 H new ATOM 997 N SER A 70 5.174 10.057 -3.969 1.00 0.00 N ATOM 998 CA SER A 70 5.770 9.699 -5.250 1.00 0.00 C ATOM 999 C SER A 70 5.984 8.191 -5.348 1.00 0.00 C ATOM 1000 O SER A 70 5.739 7.585 -6.391 1.00 0.00 O ATOM 1001 CB SER A 70 7.103 10.427 -5.437 1.00 0.00 C ATOM 1002 OG SER A 70 7.463 10.489 -6.806 1.00 0.00 O ATOM 0 H SER A 70 5.557 10.903 -3.548 1.00 0.00 H new ATOM 0 HA SER A 70 5.083 10.003 -6.040 1.00 0.00 H new ATOM 0 HB2 SER A 70 7.030 11.436 -5.031 1.00 0.00 H new ATOM 0 HB3 SER A 70 7.883 9.913 -4.876 1.00 0.00 H new ATOM 0 HG SER A 70 8.317 10.960 -6.899 1.00 0.00 H new ATOM 1008 N ASP A 71 6.440 7.593 -4.253 1.00 0.00 N ATOM 1009 CA ASP A 71 6.686 6.156 -4.213 1.00 0.00 C ATOM 1010 C ASP A 71 5.422 5.400 -3.814 1.00 0.00 C ATOM 1011 O ASP A 71 5.135 4.327 -4.345 1.00 0.00 O ATOM 1012 CB ASP A 71 7.816 5.836 -3.233 1.00 0.00 C ATOM 1013 CG ASP A 71 9.112 6.533 -3.598 1.00 0.00 C ATOM 1014 OD1 ASP A 71 9.258 6.941 -4.769 1.00 0.00 O ATOM 1015 OD2 ASP A 71 9.981 6.671 -2.712 1.00 0.00 O ATOM 0 H ASP A 71 6.647 8.081 -3.381 1.00 0.00 H new ATOM 0 HA ASP A 71 6.981 5.835 -5.212 1.00 0.00 H new ATOM 0 HB2 ASP A 71 7.517 6.134 -2.228 1.00 0.00 H new ATOM 0 HB3 ASP A 71 7.980 4.759 -3.211 1.00 0.00 H new ATOM 1020 N VAL A 72 4.671 5.967 -2.875 1.00 0.00 N ATOM 1021 CA VAL A 72 3.437 5.347 -2.407 1.00 0.00 C ATOM 1022 C VAL A 72 2.497 5.045 -3.567 1.00 0.00 C ATOM 1023 O VAL A 72 2.022 3.920 -3.717 1.00 0.00 O ATOM 1024 CB VAL A 72 2.708 6.246 -1.391 1.00 0.00 C ATOM 1025 CG1 VAL A 72 1.523 5.512 -0.781 1.00 0.00 C ATOM 1026 CG2 VAL A 72 3.670 6.715 -0.308 1.00 0.00 C ATOM 0 H VAL A 72 4.895 6.854 -2.424 1.00 0.00 H new ATOM 0 HA VAL A 72 3.718 4.413 -1.920 1.00 0.00 H new ATOM 0 HB VAL A 72 2.330 7.124 -1.915 1.00 0.00 H new ATOM 0 HG11 VAL A 72 1.021 6.163 -0.066 1.00 0.00 H new ATOM 0 HG12 VAL A 72 0.824 5.231 -1.569 1.00 0.00 H new ATOM 0 HG13 VAL A 72 1.874 4.615 -0.271 1.00 0.00 H new ATOM 0 HG21 VAL A 72 3.138 7.349 0.401 1.00 0.00 H new ATOM 0 HG22 VAL A 72 4.079 5.850 0.214 1.00 0.00 H new ATOM 0 HG23 VAL A 72 4.482 7.282 -0.763 1.00 0.00 H new ATOM 1036 N GLU A 73 2.232 6.057 -4.387 1.00 0.00 N ATOM 1037 CA GLU A 73 1.348 5.900 -5.535 1.00 0.00 C ATOM 1038 C GLU A 73 1.679 4.624 -6.305 1.00 0.00 C ATOM 1039 O GLU A 73 0.791 3.837 -6.635 1.00 0.00 O ATOM 1040 CB GLU A 73 1.459 7.111 -6.463 1.00 0.00 C ATOM 1041 CG GLU A 73 2.725 7.121 -7.303 1.00 0.00 C ATOM 1042 CD GLU A 73 2.925 8.430 -8.043 1.00 0.00 C ATOM 1043 OE1 GLU A 73 2.669 9.495 -7.443 1.00 0.00 O ATOM 1044 OE2 GLU A 73 3.338 8.388 -9.220 1.00 0.00 O ATOM 0 H GLU A 73 2.617 6.995 -4.277 1.00 0.00 H new ATOM 0 HA GLU A 73 0.325 5.827 -5.166 1.00 0.00 H new ATOM 0 HB2 GLU A 73 0.594 7.131 -7.125 1.00 0.00 H new ATOM 0 HB3 GLU A 73 1.423 8.021 -5.864 1.00 0.00 H new ATOM 0 HG2 GLU A 73 3.585 6.937 -6.659 1.00 0.00 H new ATOM 0 HG3 GLU A 73 2.685 6.304 -8.023 1.00 0.00 H new ATOM 1051 N LYS A 74 2.962 4.427 -6.588 1.00 0.00 N ATOM 1052 CA LYS A 74 3.412 3.248 -7.318 1.00 0.00 C ATOM 1053 C LYS A 74 3.305 1.997 -6.451 1.00 0.00 C ATOM 1054 O LYS A 74 2.967 0.919 -6.939 1.00 0.00 O ATOM 1055 CB LYS A 74 4.856 3.434 -7.787 1.00 0.00 C ATOM 1056 CG LYS A 74 5.036 4.584 -8.763 1.00 0.00 C ATOM 1057 CD LYS A 74 6.502 4.818 -9.085 1.00 0.00 C ATOM 1058 CE LYS A 74 7.133 5.812 -8.123 1.00 0.00 C ATOM 1059 NZ LYS A 74 7.010 7.213 -8.612 1.00 0.00 N ATOM 0 H LYS A 74 3.709 5.069 -6.323 1.00 0.00 H new ATOM 0 HA LYS A 74 2.767 3.122 -8.188 1.00 0.00 H new ATOM 0 HB2 LYS A 74 5.492 3.603 -6.918 1.00 0.00 H new ATOM 0 HB3 LYS A 74 5.198 2.512 -8.258 1.00 0.00 H new ATOM 0 HG2 LYS A 74 4.490 4.371 -9.682 1.00 0.00 H new ATOM 0 HG3 LYS A 74 4.606 5.492 -8.340 1.00 0.00 H new ATOM 0 HD2 LYS A 74 7.041 3.872 -9.038 1.00 0.00 H new ATOM 0 HD3 LYS A 74 6.597 5.188 -10.106 1.00 0.00 H new ATOM 0 HE2 LYS A 74 6.656 5.725 -7.147 1.00 0.00 H new ATOM 0 HE3 LYS A 74 8.186 5.566 -7.986 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 7.958 7.606 -8.782 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 6.466 7.225 -9.498 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 6.520 7.788 -7.897 1.00 0.00 H new ATOM 1073 N ALA A 75 3.595 2.150 -5.163 1.00 0.00 N ATOM 1074 CA ALA A 75 3.528 1.033 -4.228 1.00 0.00 C ATOM 1075 C ALA A 75 2.099 0.517 -4.090 1.00 0.00 C ATOM 1076 O ALA A 75 1.875 -0.677 -3.890 1.00 0.00 O ATOM 1077 CB ALA A 75 4.074 1.448 -2.870 1.00 0.00 C ATOM 0 H ALA A 75 3.878 3.035 -4.743 1.00 0.00 H new ATOM 0 HA ALA A 75 4.142 0.224 -4.623 1.00 0.00 H new ATOM 0 HB1 ALA A 75 4.018 0.604 -2.182 1.00 0.00 H new ATOM 0 HB2 ALA A 75 5.113 1.761 -2.976 1.00 0.00 H new ATOM 0 HB3 ALA A 75 3.483 2.276 -2.478 1.00 0.00 H new ATOM 1083 N LYS A 76 1.135 1.426 -4.197 1.00 0.00 N ATOM 1084 CA LYS A 76 -0.273 1.063 -4.085 1.00 0.00 C ATOM 1085 C LYS A 76 -0.739 0.299 -5.320 1.00 0.00 C ATOM 1086 O LYS A 76 -1.284 -0.800 -5.215 1.00 0.00 O ATOM 1087 CB LYS A 76 -1.130 2.317 -3.894 1.00 0.00 C ATOM 1088 CG LYS A 76 -2.622 2.034 -3.850 1.00 0.00 C ATOM 1089 CD LYS A 76 -3.436 3.297 -4.073 1.00 0.00 C ATOM 1090 CE LYS A 76 -4.772 3.234 -3.347 1.00 0.00 C ATOM 1091 NZ LYS A 76 -5.374 4.585 -3.176 1.00 0.00 N ATOM 0 H LYS A 76 1.303 2.419 -4.361 1.00 0.00 H new ATOM 0 HA LYS A 76 -0.387 0.416 -3.216 1.00 0.00 H new ATOM 0 HB2 LYS A 76 -0.835 2.811 -2.968 1.00 0.00 H new ATOM 0 HB3 LYS A 76 -0.925 3.014 -4.706 1.00 0.00 H new ATOM 0 HG2 LYS A 76 -2.876 1.297 -4.612 1.00 0.00 H new ATOM 0 HG3 LYS A 76 -2.882 1.598 -2.886 1.00 0.00 H new ATOM 0 HD2 LYS A 76 -2.871 4.162 -3.724 1.00 0.00 H new ATOM 0 HD3 LYS A 76 -3.607 3.438 -5.140 1.00 0.00 H new ATOM 0 HE2 LYS A 76 -5.459 2.598 -3.905 1.00 0.00 H new ATOM 0 HE3 LYS A 76 -4.633 2.772 -2.370 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 -6.283 4.500 -2.677 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 -4.730 5.184 -2.622 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 -5.531 5.016 -4.109 1.00 0.00 H new ATOM 1105 N LYS A 77 -0.518 0.887 -6.491 1.00 0.00 N ATOM 1106 CA LYS A 77 -0.912 0.261 -7.748 1.00 0.00 C ATOM 1107 C LYS A 77 -0.264 -1.111 -7.900 1.00 0.00 C ATOM 1108 O LYS A 77 -0.792 -1.983 -8.589 1.00 0.00 O ATOM 1109 CB LYS A 77 -0.524 1.154 -8.930 1.00 0.00 C ATOM 1110 CG LYS A 77 0.867 0.875 -9.471 1.00 0.00 C ATOM 1111 CD LYS A 77 1.312 1.952 -10.446 1.00 0.00 C ATOM 1112 CE LYS A 77 0.889 1.625 -11.870 1.00 0.00 C ATOM 1113 NZ LYS A 77 1.075 2.786 -12.784 1.00 0.00 N ATOM 0 H LYS A 77 -0.068 1.796 -6.596 1.00 0.00 H new ATOM 0 HA LYS A 77 -1.994 0.132 -7.737 1.00 0.00 H new ATOM 0 HB2 LYS A 77 -1.250 1.018 -9.731 1.00 0.00 H new ATOM 0 HB3 LYS A 77 -0.582 2.198 -8.621 1.00 0.00 H new ATOM 0 HG2 LYS A 77 1.575 0.816 -8.644 1.00 0.00 H new ATOM 0 HG3 LYS A 77 0.877 -0.095 -9.969 1.00 0.00 H new ATOM 0 HD2 LYS A 77 0.886 2.911 -10.150 1.00 0.00 H new ATOM 0 HD3 LYS A 77 2.396 2.058 -10.403 1.00 0.00 H new ATOM 0 HE2 LYS A 77 1.469 0.778 -12.236 1.00 0.00 H new ATOM 0 HE3 LYS A 77 -0.158 1.321 -11.877 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 0.776 2.523 -13.745 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 0.502 3.587 -12.449 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 2.078 3.060 -12.797 1.00 0.00 H new ATOM 1127 N GLN A 78 0.881 -1.295 -7.250 1.00 0.00 N ATOM 1128 CA GLN A 78 1.600 -2.562 -7.313 1.00 0.00 C ATOM 1129 C GLN A 78 0.962 -3.596 -6.391 1.00 0.00 C ATOM 1130 O GLN A 78 0.912 -4.784 -6.713 1.00 0.00 O ATOM 1131 CB GLN A 78 3.067 -2.359 -6.933 1.00 0.00 C ATOM 1132 CG GLN A 78 3.921 -1.819 -8.068 1.00 0.00 C ATOM 1133 CD GLN A 78 5.395 -2.127 -7.889 1.00 0.00 C ATOM 1134 OE1 GLN A 78 5.858 -3.219 -8.221 1.00 0.00 O ATOM 1135 NE2 GLN A 78 6.141 -1.164 -7.361 1.00 0.00 N ATOM 0 H GLN A 78 1.330 -0.583 -6.674 1.00 0.00 H new ATOM 0 HA GLN A 78 1.545 -2.932 -8.337 1.00 0.00 H new ATOM 0 HB2 GLN A 78 3.123 -1.672 -6.089 1.00 0.00 H new ATOM 0 HB3 GLN A 78 3.482 -3.310 -6.598 1.00 0.00 H new ATOM 0 HG2 GLN A 78 3.577 -2.245 -9.010 1.00 0.00 H new ATOM 0 HG3 GLN A 78 3.785 -0.740 -8.138 1.00 0.00 H new ATOM 0 HE21 GLN A 78 5.716 -0.274 -7.100 1.00 0.00 H new ATOM 0 HE22 GLN A 78 7.139 -1.314 -7.216 1.00 0.00 H new ATOM 1144 N LEU A 79 0.474 -3.137 -5.244 1.00 0.00 N ATOM 1145 CA LEU A 79 -0.161 -4.022 -4.273 1.00 0.00 C ATOM 1146 C LEU A 79 -1.512 -4.511 -4.785 1.00 0.00 C ATOM 1147 O LEU A 79 -1.848 -5.689 -4.655 1.00 0.00 O ATOM 1148 CB LEU A 79 -0.340 -3.302 -2.935 1.00 0.00 C ATOM 1149 CG LEU A 79 -0.290 -4.182 -1.688 1.00 0.00 C ATOM 1150 CD1 LEU A 79 1.144 -4.358 -1.214 1.00 0.00 C ATOM 1151 CD2 LEU A 79 -1.149 -3.588 -0.581 1.00 0.00 C ATOM 0 H LEU A 79 0.506 -2.157 -4.963 1.00 0.00 H new ATOM 0 HA LEU A 79 0.487 -4.886 -4.128 1.00 0.00 H new ATOM 0 HB2 LEU A 79 0.435 -2.540 -2.849 1.00 0.00 H new ATOM 0 HB3 LEU A 79 -1.298 -2.782 -2.950 1.00 0.00 H new ATOM 0 HG LEU A 79 -0.689 -5.163 -1.945 1.00 0.00 H new ATOM 0 HD11 LEU A 79 1.158 -4.988 -0.325 1.00 0.00 H new ATOM 0 HD12 LEU A 79 1.732 -4.829 -2.002 1.00 0.00 H new ATOM 0 HD13 LEU A 79 1.571 -3.384 -0.975 1.00 0.00 H new ATOM 0 HD21 LEU A 79 -1.101 -4.228 0.300 1.00 0.00 H new ATOM 0 HD22 LEU A 79 -0.780 -2.594 -0.328 1.00 0.00 H new ATOM 0 HD23 LEU A 79 -2.182 -3.515 -0.921 1.00 0.00 H new ATOM 1163 N LEU A 80 -2.281 -3.599 -5.370 1.00 0.00 N ATOM 1164 CA LEU A 80 -3.596 -3.937 -5.905 1.00 0.00 C ATOM 1165 C LEU A 80 -3.481 -4.970 -7.021 1.00 0.00 C ATOM 1166 O LEU A 80 -4.263 -5.918 -7.089 1.00 0.00 O ATOM 1167 CB LEU A 80 -4.295 -2.681 -6.426 1.00 0.00 C ATOM 1168 CG LEU A 80 -5.157 -1.924 -5.415 1.00 0.00 C ATOM 1169 CD1 LEU A 80 -4.283 -1.127 -4.460 1.00 0.00 C ATOM 1170 CD2 LEU A 80 -6.140 -1.008 -6.131 1.00 0.00 C ATOM 0 H LEU A 80 -2.017 -2.621 -5.486 1.00 0.00 H new ATOM 0 HA LEU A 80 -4.190 -4.367 -5.098 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -3.536 -1.999 -6.808 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -4.924 -2.963 -7.270 1.00 0.00 H new ATOM 0 HG LEU A 80 -5.725 -2.651 -4.835 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -4.914 -0.595 -3.748 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -3.620 -1.805 -3.922 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -3.688 -0.409 -5.025 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -6.745 -0.478 -5.396 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -5.591 -0.287 -6.737 1.00 0.00 H new ATOM 0 HD23 LEU A 80 -6.789 -1.602 -6.774 1.00 0.00 H new ATOM 1182 N HIS A 81 -2.499 -4.779 -7.897 1.00 0.00 N ATOM 1183 CA HIS A 81 -2.278 -5.696 -9.011 1.00 0.00 C ATOM 1184 C HIS A 81 -1.983 -7.104 -8.504 1.00 0.00 C ATOM 1185 O HIS A 81 -2.697 -8.054 -8.829 1.00 0.00 O ATOM 1186 CB HIS A 81 -1.124 -5.203 -9.884 1.00 0.00 C ATOM 1187 CG HIS A 81 -1.043 -5.889 -11.212 1.00 0.00 C ATOM 1188 ND1 HIS A 81 -2.153 -6.195 -11.971 1.00 0.00 N ATOM 1189 CD2 HIS A 81 0.025 -6.328 -11.918 1.00 0.00 C ATOM 1190 CE1 HIS A 81 -1.772 -6.794 -13.085 1.00 0.00 C ATOM 1191 NE2 HIS A 81 -0.455 -6.886 -13.078 1.00 0.00 N ATOM 0 H HIS A 81 -1.844 -3.998 -7.857 1.00 0.00 H new ATOM 0 HA HIS A 81 -3.188 -5.728 -9.610 1.00 0.00 H new ATOM 0 HB2 HIS A 81 -1.233 -4.130 -10.044 1.00 0.00 H new ATOM 0 HB3 HIS A 81 -0.186 -5.352 -9.350 1.00 0.00 H new ATOM 0 HD2 HIS A 81 1.062 -6.254 -11.624 1.00 0.00 H new ATOM 0 HE1 HIS A 81 -2.426 -7.148 -13.868 1.00 0.00 H new ATOM 0 HE2 HIS A 81 0.114 -7.304 -13.814 1.00 0.00 H new ATOM 1199 N LEU A 82 -0.927 -7.233 -7.709 1.00 0.00 N ATOM 1200 CA LEU A 82 -0.536 -8.526 -7.158 1.00 0.00 C ATOM 1201 C LEU A 82 -1.683 -9.150 -6.369 1.00 0.00 C ATOM 1202 O LEU A 82 -2.012 -10.321 -6.554 1.00 0.00 O ATOM 1203 CB LEU A 82 0.691 -8.370 -6.259 1.00 0.00 C ATOM 1204 CG LEU A 82 1.914 -7.713 -6.901 1.00 0.00 C ATOM 1205 CD1 LEU A 82 2.943 -7.352 -5.842 1.00 0.00 C ATOM 1206 CD2 LEU A 82 2.525 -8.632 -7.950 1.00 0.00 C ATOM 0 H LEU A 82 -0.326 -6.457 -7.431 1.00 0.00 H new ATOM 0 HA LEU A 82 -0.288 -9.187 -7.988 1.00 0.00 H new ATOM 0 HB2 LEU A 82 0.405 -7.784 -5.386 1.00 0.00 H new ATOM 0 HB3 LEU A 82 0.981 -9.357 -5.899 1.00 0.00 H new ATOM 0 HG LEU A 82 1.593 -6.795 -7.394 1.00 0.00 H new ATOM 0 HD11 LEU A 82 3.806 -6.886 -6.317 1.00 0.00 H new ATOM 0 HD12 LEU A 82 2.502 -6.656 -5.128 1.00 0.00 H new ATOM 0 HD13 LEU A 82 3.260 -8.255 -5.320 1.00 0.00 H new ATOM 0 HD21 LEU A 82 3.394 -8.148 -8.396 1.00 0.00 H new ATOM 0 HD22 LEU A 82 2.831 -9.567 -7.481 1.00 0.00 H new ATOM 0 HD23 LEU A 82 1.788 -8.840 -8.725 1.00 0.00 H new ATOM 1218 N ALA A 83 -2.289 -8.359 -5.489 1.00 0.00 N ATOM 1219 CA ALA A 83 -3.400 -8.833 -4.675 1.00 0.00 C ATOM 1220 C ALA A 83 -4.338 -9.719 -5.488 1.00 0.00 C ATOM 1221 O ALA A 83 -4.882 -10.697 -4.975 1.00 0.00 O ATOM 1222 CB ALA A 83 -4.163 -7.655 -4.087 1.00 0.00 C ATOM 0 H ALA A 83 -2.028 -7.387 -5.322 1.00 0.00 H new ATOM 0 HA ALA A 83 -2.992 -9.432 -3.861 1.00 0.00 H new ATOM 0 HB1 ALA A 83 -4.991 -8.024 -3.481 1.00 0.00 H new ATOM 0 HB2 ALA A 83 -3.493 -7.062 -3.464 1.00 0.00 H new ATOM 0 HB3 ALA A 83 -4.553 -7.034 -4.894 1.00 0.00 H new ATOM 1228 N GLU A 84 -4.523 -9.370 -6.758 1.00 0.00 N ATOM 1229 CA GLU A 84 -5.395 -10.135 -7.640 1.00 0.00 C ATOM 1230 C GLU A 84 -4.624 -11.255 -8.332 1.00 0.00 C ATOM 1231 O GLU A 84 -5.091 -12.390 -8.406 1.00 0.00 O ATOM 1232 CB GLU A 84 -6.032 -9.216 -8.685 1.00 0.00 C ATOM 1233 CG GLU A 84 -6.668 -7.969 -8.094 1.00 0.00 C ATOM 1234 CD GLU A 84 -8.096 -8.202 -7.643 1.00 0.00 C ATOM 1235 OE1 GLU A 84 -8.951 -8.491 -8.506 1.00 0.00 O ATOM 1236 OE2 GLU A 84 -8.359 -8.094 -6.427 1.00 0.00 O ATOM 0 H GLU A 84 -4.081 -8.563 -7.198 1.00 0.00 H new ATOM 0 HA GLU A 84 -6.181 -10.583 -7.032 1.00 0.00 H new ATOM 0 HB2 GLU A 84 -5.271 -8.918 -9.406 1.00 0.00 H new ATOM 0 HB3 GLU A 84 -6.790 -9.775 -9.234 1.00 0.00 H new ATOM 0 HG2 GLU A 84 -6.074 -7.629 -7.246 1.00 0.00 H new ATOM 0 HG3 GLU A 84 -6.651 -7.170 -8.835 1.00 0.00 H new ATOM 1243 N GLU A 85 -3.441 -10.924 -8.840 1.00 0.00 N ATOM 1244 CA GLU A 85 -2.604 -11.901 -9.527 1.00 0.00 C ATOM 1245 C GLU A 85 -2.506 -13.195 -8.724 1.00 0.00 C ATOM 1246 O GLU A 85 -2.650 -14.290 -9.269 1.00 0.00 O ATOM 1247 CB GLU A 85 -1.205 -11.330 -9.768 1.00 0.00 C ATOM 1248 CG GLU A 85 -1.157 -10.284 -10.869 1.00 0.00 C ATOM 1249 CD GLU A 85 -1.055 -10.897 -12.252 1.00 0.00 C ATOM 1250 OE1 GLU A 85 -0.411 -11.959 -12.384 1.00 0.00 O ATOM 1251 OE2 GLU A 85 -1.620 -10.316 -13.203 1.00 0.00 O ATOM 0 H GLU A 85 -3.041 -9.987 -8.789 1.00 0.00 H new ATOM 0 HA GLU A 85 -3.067 -12.124 -10.488 1.00 0.00 H new ATOM 0 HB2 GLU A 85 -0.837 -10.888 -8.842 1.00 0.00 H new ATOM 0 HB3 GLU A 85 -0.528 -12.145 -10.023 1.00 0.00 H new ATOM 0 HG2 GLU A 85 -2.052 -9.664 -10.815 1.00 0.00 H new ATOM 0 HG3 GLU A 85 -0.304 -9.626 -10.703 1.00 0.00 H new ATOM 1258 N LYS A 86 -2.260 -13.061 -7.425 1.00 0.00 N ATOM 1259 CA LYS A 86 -2.143 -14.216 -6.545 1.00 0.00 C ATOM 1260 C LYS A 86 -3.416 -15.056 -6.577 1.00 0.00 C ATOM 1261 O LYS A 86 -3.363 -16.283 -6.501 1.00 0.00 O ATOM 1262 CB LYS A 86 -1.852 -13.765 -5.112 1.00 0.00 C ATOM 1263 CG LYS A 86 -0.691 -12.792 -5.004 1.00 0.00 C ATOM 1264 CD LYS A 86 0.630 -13.462 -5.341 1.00 0.00 C ATOM 1265 CE LYS A 86 0.985 -13.289 -6.810 1.00 0.00 C ATOM 1266 NZ LYS A 86 2.436 -13.506 -7.060 1.00 0.00 N ATOM 0 H LYS A 86 -2.138 -12.162 -6.959 1.00 0.00 H new ATOM 0 HA LYS A 86 -1.315 -14.829 -6.901 1.00 0.00 H new ATOM 0 HB2 LYS A 86 -2.746 -13.298 -4.698 1.00 0.00 H new ATOM 0 HB3 LYS A 86 -1.638 -14.642 -4.501 1.00 0.00 H new ATOM 0 HG2 LYS A 86 -0.856 -11.951 -5.678 1.00 0.00 H new ATOM 0 HG3 LYS A 86 -0.647 -12.387 -3.993 1.00 0.00 H new ATOM 0 HD2 LYS A 86 1.422 -13.039 -4.722 1.00 0.00 H new ATOM 0 HD3 LYS A 86 0.572 -14.524 -5.102 1.00 0.00 H new ATOM 0 HE2 LYS A 86 0.405 -13.991 -7.409 1.00 0.00 H new ATOM 0 HE3 LYS A 86 0.707 -12.287 -7.135 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 2.637 -13.379 -8.073 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 2.990 -12.820 -6.509 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 2.697 -14.471 -6.774 1.00 0.00 H new