USER MOD reduce.3.24.130724 H: found=0, std=0, add=705, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 705 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 47 TYR OH : rot 64:sc= 0.111 USER MOD Set 1.2: A 64 HIS : no HE2:sc= -4.35! C(o=-4.2!,f=-6.1!) USER MOD Single : A 20 LYS NZ :NH3+ -170:sc= 0.264 (180deg=0.242) USER MOD Single : A 21 GLN : amide:sc= -4.38! C(o=-4.4!,f=-11!) USER MOD Single : A 23 CYS SG : rot 180:sc= 0 USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 35 LYS NZ :NH3+ -140:sc= 0 (180deg=-0.557) USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 HIS : no HD1:sc= -0.539 X(o=-0.54,f=-0.61) USER MOD Single : A 50 TYR OH : rot 180:sc= -1.03 USER MOD Single : A 51 TYR OH : rot 180:sc= 0 USER MOD Single : A 68 CYS SG : rot 160:sc= -3.19! USER MOD Single : A 71 THR OG1 : rot 180:sc= 0 USER MOD Single : A 72 SER OG : rot 180:sc= 0 USER MOD Single : A 86 ASN : amide:sc= -0.148 X(o=-0.15,f=-0.13) USER MOD Single : A 92 THR OG1 : rot 130:sc= -1.15 USER MOD Single : A 97 HIS : no HE2:sc= -5.29! C(o=-5.3!,f=-10!) USER MOD Single : A 98 TYR OH : rot 30:sc= -0.45 USER MOD Single : A 101 GLN : amide:sc= -0.27 X(o=-0.27,f=-0.12) USER MOD Single : A 104 THR OG1 : rot 180:sc= 0.0724 USER MOD Single : A 106 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 109 THR OG1 : rot 180:sc= 0 USER MOD Single : A 113 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 116 GLN : amide:sc= -2.63! C(o=-2.6!,f=-2.2!) USER MOD Single : A 117 MET CE :methyl 167:sc= -2.78! (180deg=-3.77!) USER MOD Single : A 119 SER OG : rot -17:sc= -0.69 USER MOD ----------------------------------------------------------------- ATOM 223 N VAL A 17 5.159 8.698 7.930 1.00 0.00 N ATOM 224 CA VAL A 17 4.630 8.019 9.101 1.00 0.00 C ATOM 225 C VAL A 17 3.676 6.910 8.654 1.00 0.00 C ATOM 226 O VAL A 17 3.311 6.835 7.481 1.00 0.00 O ATOM 227 CB VAL A 17 3.971 9.032 10.040 1.00 0.00 C ATOM 228 CG1 VAL A 17 2.489 9.207 9.704 1.00 0.00 C ATOM 229 CG2 VAL A 17 4.158 8.625 11.503 1.00 0.00 C ATOM 0 HA VAL A 17 5.435 7.548 9.666 1.00 0.00 H new ATOM 0 HB VAL A 17 4.463 9.994 9.895 1.00 0.00 H new ATOM 0 HG11 VAL A 17 2.044 9.932 10.386 1.00 0.00 H new ATOM 0 HG12 VAL A 17 2.388 9.564 8.679 1.00 0.00 H new ATOM 0 HG13 VAL A 17 1.977 8.250 9.807 1.00 0.00 H new ATOM 0 HG21 VAL A 17 3.681 9.361 12.149 1.00 0.00 H new ATOM 0 HG22 VAL A 17 3.705 7.648 11.670 1.00 0.00 H new ATOM 0 HG23 VAL A 17 5.222 8.575 11.734 1.00 0.00 H new ATOM 239 N ILE A 18 3.298 6.076 9.612 1.00 0.00 N ATOM 240 CA ILE A 18 2.393 4.975 9.332 1.00 0.00 C ATOM 241 C ILE A 18 0.975 5.365 9.755 1.00 0.00 C ATOM 242 O ILE A 18 0.786 6.343 10.475 1.00 0.00 O ATOM 243 CB ILE A 18 2.898 3.687 9.986 1.00 0.00 C ATOM 244 CG1 ILE A 18 4.185 3.200 9.317 1.00 0.00 C ATOM 245 CG2 ILE A 18 1.810 2.611 9.989 1.00 0.00 C ATOM 246 CD1 ILE A 18 5.054 2.418 10.304 1.00 0.00 C ATOM 0 H ILE A 18 3.602 6.141 10.583 1.00 0.00 H new ATOM 0 HA ILE A 18 2.361 4.771 8.262 1.00 0.00 H new ATOM 0 HB ILE A 18 3.139 3.904 11.027 1.00 0.00 H new ATOM 0 HG12 ILE A 18 3.939 2.568 8.464 1.00 0.00 H new ATOM 0 HG13 ILE A 18 4.744 4.053 8.931 1.00 0.00 H new ATOM 0 HG21 ILE A 18 2.195 1.706 10.459 1.00 0.00 H new ATOM 0 HG22 ILE A 18 0.945 2.970 10.546 1.00 0.00 H new ATOM 0 HG23 ILE A 18 1.514 2.390 8.963 1.00 0.00 H new ATOM 0 HD11 ILE A 18 5.962 2.083 9.803 1.00 0.00 H new ATOM 0 HD12 ILE A 18 5.318 3.060 11.144 1.00 0.00 H new ATOM 0 HD13 ILE A 18 4.501 1.552 10.669 1.00 0.00 H new ATOM 258 N ILE A 19 0.016 4.579 9.288 1.00 0.00 N ATOM 259 CA ILE A 19 -1.379 4.830 9.609 1.00 0.00 C ATOM 260 C ILE A 19 -2.036 3.525 10.062 1.00 0.00 C ATOM 261 O ILE A 19 -2.784 3.509 11.039 1.00 0.00 O ATOM 262 CB ILE A 19 -2.088 5.498 8.429 1.00 0.00 C ATOM 263 CG1 ILE A 19 -1.612 4.911 7.099 1.00 0.00 C ATOM 264 CG2 ILE A 19 -1.920 7.018 8.478 1.00 0.00 C ATOM 265 CD1 ILE A 19 -0.449 5.723 6.526 1.00 0.00 C ATOM 0 H ILE A 19 0.177 3.768 8.690 1.00 0.00 H new ATOM 0 HA ILE A 19 -1.459 5.532 10.439 1.00 0.00 H new ATOM 0 HB ILE A 19 -3.155 5.289 8.509 1.00 0.00 H new ATOM 0 HG12 ILE A 19 -1.301 3.877 7.245 1.00 0.00 H new ATOM 0 HG13 ILE A 19 -2.437 4.899 6.387 1.00 0.00 H new ATOM 0 HG21 ILE A 19 -2.433 7.468 7.628 1.00 0.00 H new ATOM 0 HG22 ILE A 19 -2.347 7.402 9.405 1.00 0.00 H new ATOM 0 HG23 ILE A 19 -0.860 7.268 8.436 1.00 0.00 H new ATOM 0 HD11 ILE A 19 -0.130 5.284 5.581 1.00 0.00 H new ATOM 0 HD12 ILE A 19 -0.771 6.751 6.359 1.00 0.00 H new ATOM 0 HD13 ILE A 19 0.383 5.713 7.230 1.00 0.00 H new ATOM 277 N LYS A 20 -1.733 2.462 9.332 1.00 0.00 N ATOM 278 CA LYS A 20 -2.285 1.155 9.646 1.00 0.00 C ATOM 279 C LYS A 20 -1.259 0.075 9.299 1.00 0.00 C ATOM 280 O LYS A 20 -0.459 0.246 8.380 1.00 0.00 O ATOM 281 CB LYS A 20 -3.637 0.964 8.955 1.00 0.00 C ATOM 282 CG LYS A 20 -4.294 -0.348 9.389 1.00 0.00 C ATOM 283 CD LYS A 20 -5.815 -0.203 9.457 1.00 0.00 C ATOM 284 CE LYS A 20 -6.490 -1.567 9.613 1.00 0.00 C ATOM 285 NZ LYS A 20 -7.406 -1.563 10.774 1.00 0.00 N ATOM 0 H LYS A 20 -1.112 2.479 8.523 1.00 0.00 H new ATOM 0 HA LYS A 20 -2.485 1.073 10.714 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -4.293 1.800 9.195 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -3.500 0.966 7.874 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -4.032 -1.140 8.687 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -3.910 -0.646 10.364 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -6.085 0.438 10.296 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -6.178 0.285 8.552 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -7.044 -1.811 8.706 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -5.733 -2.341 9.742 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -7.724 -2.534 10.968 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -6.909 -1.188 11.607 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -8.230 -0.964 10.564 1.00 0.00 H new ATOM 299 N GLN A 21 -1.313 -1.013 10.053 1.00 0.00 N ATOM 300 CA GLN A 21 -0.398 -2.120 9.837 1.00 0.00 C ATOM 301 C GLN A 21 -1.061 -3.442 10.231 1.00 0.00 C ATOM 302 O GLN A 21 -2.041 -3.451 10.975 1.00 0.00 O ATOM 303 CB GLN A 21 0.907 -1.911 10.607 1.00 0.00 C ATOM 304 CG GLN A 21 1.754 -0.813 9.961 1.00 0.00 C ATOM 305 CD GLN A 21 3.009 -0.529 10.790 1.00 0.00 C ATOM 306 OE1 GLN A 21 4.131 -0.725 10.353 1.00 0.00 O ATOM 307 NE2 GLN A 21 2.757 -0.058 12.008 1.00 0.00 N ATOM 0 H GLN A 21 -1.977 -1.151 10.815 1.00 0.00 H new ATOM 0 HA GLN A 21 -0.153 -2.161 8.776 1.00 0.00 H new ATOM 0 HB2 GLN A 21 0.685 -1.644 11.640 1.00 0.00 H new ATOM 0 HB3 GLN A 21 1.472 -2.843 10.633 1.00 0.00 H new ATOM 0 HG2 GLN A 21 2.040 -1.115 8.953 1.00 0.00 H new ATOM 0 HG3 GLN A 21 1.163 0.098 9.865 1.00 0.00 H new ATOM 0 HE21 GLN A 21 1.793 0.083 12.311 1.00 0.00 H new ATOM 0 HE22 GLN A 21 3.527 0.162 12.639 1.00 0.00 H new ATOM 316 N GLY A 22 -0.501 -4.525 9.714 1.00 0.00 N ATOM 317 CA GLY A 22 -1.025 -5.849 10.003 1.00 0.00 C ATOM 318 C GLY A 22 -0.617 -6.849 8.919 1.00 0.00 C ATOM 319 O GLY A 22 0.188 -6.529 8.045 1.00 0.00 O ATOM 0 H GLY A 22 0.311 -4.513 9.096 1.00 0.00 H new ATOM 0 HA2 GLY A 22 -0.656 -6.187 10.972 1.00 0.00 H new ATOM 0 HA3 GLY A 22 -2.112 -5.807 10.073 1.00 0.00 H new ATOM 323 N CYS A 23 -1.189 -8.040 9.012 1.00 0.00 N ATOM 324 CA CYS A 23 -0.894 -9.089 8.051 1.00 0.00 C ATOM 325 C CYS A 23 -2.106 -9.251 7.130 1.00 0.00 C ATOM 326 O CYS A 23 -3.244 -9.063 7.557 1.00 0.00 O ATOM 327 CB CYS A 23 -0.523 -10.403 8.742 1.00 0.00 C ATOM 328 SG CYS A 23 1.062 -10.213 9.637 1.00 0.00 S ATOM 0 H CYS A 23 -1.855 -8.302 9.738 1.00 0.00 H new ATOM 0 HA CYS A 23 -0.023 -8.808 7.459 1.00 0.00 H new ATOM 0 HB2 CYS A 23 -1.311 -10.693 9.438 1.00 0.00 H new ATOM 0 HB3 CYS A 23 -0.440 -11.201 8.004 1.00 0.00 H new ATOM 0 HG CYS A 23 1.367 -11.333 10.222 1.00 0.00 H new ATOM 334 N LEU A 24 -1.820 -9.599 5.884 1.00 0.00 N ATOM 335 CA LEU A 24 -2.871 -9.789 4.900 1.00 0.00 C ATOM 336 C LEU A 24 -2.514 -10.973 3.999 1.00 0.00 C ATOM 337 O LEU A 24 -1.399 -11.488 4.059 1.00 0.00 O ATOM 338 CB LEU A 24 -3.129 -8.490 4.134 1.00 0.00 C ATOM 339 CG LEU A 24 -3.888 -7.401 4.895 1.00 0.00 C ATOM 340 CD1 LEU A 24 -3.959 -6.109 4.079 1.00 0.00 C ATOM 341 CD2 LEU A 24 -5.275 -7.891 5.315 1.00 0.00 C ATOM 0 H LEU A 24 -0.875 -9.754 5.534 1.00 0.00 H new ATOM 0 HA LEU A 24 -3.812 -10.035 5.392 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -2.169 -8.082 3.817 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -3.688 -8.730 3.229 1.00 0.00 H new ATOM 0 HG LEU A 24 -3.337 -7.175 5.808 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -4.504 -5.352 4.643 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -2.950 -5.752 3.874 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -4.474 -6.301 3.138 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -5.793 -7.098 5.854 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -5.849 -8.162 4.429 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -5.173 -8.762 5.962 1.00 0.00 H new ATOM 353 N LEU A 25 -3.481 -11.370 3.186 1.00 0.00 N ATOM 354 CA LEU A 25 -3.283 -12.484 2.274 1.00 0.00 C ATOM 355 C LEU A 25 -3.201 -11.956 0.841 1.00 0.00 C ATOM 356 O LEU A 25 -4.225 -11.682 0.217 1.00 0.00 O ATOM 357 CB LEU A 25 -4.368 -13.543 2.478 1.00 0.00 C ATOM 358 CG LEU A 25 -4.653 -13.941 3.928 1.00 0.00 C ATOM 359 CD1 LEU A 25 -3.439 -14.627 4.557 1.00 0.00 C ATOM 360 CD2 LEU A 25 -5.117 -12.735 4.746 1.00 0.00 C ATOM 0 H LEU A 25 -4.405 -10.940 3.139 1.00 0.00 H new ATOM 0 HA LEU A 25 -2.338 -12.985 2.484 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -5.294 -13.176 2.034 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -4.082 -14.438 1.926 1.00 0.00 H new ATOM 0 HG LEU A 25 -5.468 -14.664 3.930 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -3.668 -14.899 5.587 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -3.194 -15.525 3.990 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -2.588 -13.946 4.543 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -5.313 -13.045 5.772 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -4.340 -11.970 4.740 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -6.029 -12.329 4.310 1.00 0.00 H new ATOM 372 N LYS A 26 -1.973 -11.829 0.360 1.00 0.00 N ATOM 373 CA LYS A 26 -1.744 -11.338 -0.988 1.00 0.00 C ATOM 374 C LYS A 26 -1.919 -12.489 -1.981 1.00 0.00 C ATOM 375 O LYS A 26 -1.143 -13.443 -1.974 1.00 0.00 O ATOM 376 CB LYS A 26 -0.382 -10.646 -1.082 1.00 0.00 C ATOM 377 CG LYS A 26 -0.236 -9.902 -2.411 1.00 0.00 C ATOM 378 CD LYS A 26 1.217 -9.488 -2.651 1.00 0.00 C ATOM 379 CE LYS A 26 1.726 -10.024 -3.991 1.00 0.00 C ATOM 380 NZ LYS A 26 3.174 -9.759 -4.138 1.00 0.00 N ATOM 0 H LYS A 26 -1.126 -12.058 0.880 1.00 0.00 H new ATOM 0 HA LYS A 26 -2.480 -10.577 -1.247 1.00 0.00 H new ATOM 0 HB2 LYS A 26 -0.268 -9.946 -0.255 1.00 0.00 H new ATOM 0 HB3 LYS A 26 0.413 -11.385 -0.986 1.00 0.00 H new ATOM 0 HG2 LYS A 26 -0.576 -10.539 -3.228 1.00 0.00 H new ATOM 0 HG3 LYS A 26 -0.874 -9.018 -2.409 1.00 0.00 H new ATOM 0 HD2 LYS A 26 1.296 -8.401 -2.636 1.00 0.00 H new ATOM 0 HD3 LYS A 26 1.844 -9.864 -1.843 1.00 0.00 H new ATOM 0 HE2 LYS A 26 1.538 -11.096 -4.056 1.00 0.00 H new ATOM 0 HE3 LYS A 26 1.179 -9.554 -4.809 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 3.504 -10.129 -5.052 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 3.345 -8.734 -4.097 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 3.693 -10.228 -3.368 1.00 0.00 H new ATOM 394 N GLN A 27 -2.942 -12.360 -2.812 1.00 0.00 N ATOM 395 CA GLN A 27 -3.229 -13.377 -3.810 1.00 0.00 C ATOM 396 C GLN A 27 -3.055 -12.804 -5.218 1.00 0.00 C ATOM 397 O GLN A 27 -3.142 -11.593 -5.414 1.00 0.00 O ATOM 398 CB GLN A 27 -4.636 -13.949 -3.621 1.00 0.00 C ATOM 399 CG GLN A 27 -4.598 -15.475 -3.520 1.00 0.00 C ATOM 400 CD GLN A 27 -4.670 -16.118 -4.906 1.00 0.00 C ATOM 401 OE1 GLN A 27 -3.711 -16.135 -5.661 1.00 0.00 O ATOM 402 NE2 GLN A 27 -5.856 -16.645 -5.197 1.00 0.00 N ATOM 0 H GLN A 27 -3.583 -11.567 -2.815 1.00 0.00 H new ATOM 0 HA GLN A 27 -2.519 -14.194 -3.681 1.00 0.00 H new ATOM 0 HB2 GLN A 27 -5.084 -13.532 -2.719 1.00 0.00 H new ATOM 0 HB3 GLN A 27 -5.269 -13.652 -4.457 1.00 0.00 H new ATOM 0 HG2 GLN A 27 -3.682 -15.787 -3.018 1.00 0.00 H new ATOM 0 HG3 GLN A 27 -5.431 -15.824 -2.910 1.00 0.00 H new ATOM 0 HE21 GLN A 27 -6.616 -16.596 -4.519 1.00 0.00 H new ATOM 0 HE22 GLN A 27 -6.005 -17.098 -6.098 1.00 0.00 H new ATOM 543 N LYS A 35 -1.338 -16.604 0.505 1.00 0.00 N ATOM 544 CA LYS A 35 -0.091 -16.522 1.246 1.00 0.00 C ATOM 545 C LYS A 35 -0.132 -15.304 2.171 1.00 0.00 C ATOM 546 O LYS A 35 -0.337 -14.180 1.714 1.00 0.00 O ATOM 547 CB LYS A 35 1.103 -16.529 0.290 1.00 0.00 C ATOM 548 CG LYS A 35 1.825 -17.877 0.323 1.00 0.00 C ATOM 549 CD LYS A 35 3.341 -17.691 0.230 1.00 0.00 C ATOM 550 CE LYS A 35 3.833 -17.910 -1.202 1.00 0.00 C ATOM 551 NZ LYS A 35 5.223 -17.424 -1.352 1.00 0.00 N ATOM 0 HA LYS A 35 0.034 -17.400 1.880 1.00 0.00 H new ATOM 0 HB2 LYS A 35 0.762 -16.320 -0.724 1.00 0.00 H new ATOM 0 HB3 LYS A 35 1.797 -15.734 0.564 1.00 0.00 H new ATOM 0 HG2 LYS A 35 1.576 -18.404 1.244 1.00 0.00 H new ATOM 0 HG3 LYS A 35 1.480 -18.498 -0.503 1.00 0.00 H new ATOM 0 HD2 LYS A 35 3.609 -16.688 0.561 1.00 0.00 H new ATOM 0 HD3 LYS A 35 3.839 -18.391 0.901 1.00 0.00 H new ATOM 0 HE2 LYS A 35 3.783 -18.970 -1.452 1.00 0.00 H new ATOM 0 HE3 LYS A 35 3.181 -17.386 -1.901 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 5.327 -16.947 -2.271 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 5.441 -16.753 -0.587 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 5.879 -18.229 -1.304 1.00 0.00 H new ATOM 565 N VAL A 36 0.067 -15.567 3.454 1.00 0.00 N ATOM 566 CA VAL A 36 0.055 -14.506 4.446 1.00 0.00 C ATOM 567 C VAL A 36 1.267 -13.597 4.229 1.00 0.00 C ATOM 568 O VAL A 36 2.350 -14.070 3.889 1.00 0.00 O ATOM 569 CB VAL A 36 0.003 -15.105 5.853 1.00 0.00 C ATOM 570 CG1 VAL A 36 0.347 -14.054 6.910 1.00 0.00 C ATOM 571 CG2 VAL A 36 -1.364 -15.735 6.130 1.00 0.00 C ATOM 0 H VAL A 36 0.238 -16.500 3.829 1.00 0.00 H new ATOM 0 HA VAL A 36 -0.838 -13.891 4.335 1.00 0.00 H new ATOM 0 HB VAL A 36 0.753 -15.894 5.909 1.00 0.00 H new ATOM 0 HG11 VAL A 36 0.303 -14.506 7.901 1.00 0.00 H new ATOM 0 HG12 VAL A 36 1.352 -13.672 6.730 1.00 0.00 H new ATOM 0 HG13 VAL A 36 -0.368 -13.233 6.853 1.00 0.00 H new ATOM 0 HG21 VAL A 36 -1.375 -16.153 7.136 1.00 0.00 H new ATOM 0 HG22 VAL A 36 -2.139 -14.974 6.045 1.00 0.00 H new ATOM 0 HG23 VAL A 36 -1.553 -16.527 5.406 1.00 0.00 H new ATOM 581 N ARG A 37 1.043 -12.307 4.433 1.00 0.00 N ATOM 582 CA ARG A 37 2.102 -11.327 4.263 1.00 0.00 C ATOM 583 C ARG A 37 1.795 -10.067 5.075 1.00 0.00 C ATOM 584 O ARG A 37 0.631 -9.734 5.293 1.00 0.00 O ATOM 585 CB ARG A 37 2.272 -10.949 2.791 1.00 0.00 C ATOM 586 CG ARG A 37 3.106 -11.995 2.048 1.00 0.00 C ATOM 587 CD ARG A 37 4.029 -11.333 1.023 1.00 0.00 C ATOM 588 NE ARG A 37 5.152 -12.239 0.694 1.00 0.00 N ATOM 589 CZ ARG A 37 5.046 -13.305 -0.111 1.00 0.00 C ATOM 590 NH1 ARG A 37 3.867 -13.605 -0.674 1.00 0.00 N ATOM 591 NH2 ARG A 37 6.118 -14.071 -0.353 1.00 0.00 N ATOM 0 H ARG A 37 0.143 -11.918 4.715 1.00 0.00 H new ATOM 0 HA ARG A 37 3.029 -11.776 4.620 1.00 0.00 H new ATOM 0 HB2 ARG A 37 1.293 -10.858 2.320 1.00 0.00 H new ATOM 0 HB3 ARG A 37 2.754 -9.974 2.716 1.00 0.00 H new ATOM 0 HG2 ARG A 37 3.700 -12.566 2.762 1.00 0.00 H new ATOM 0 HG3 ARG A 37 2.446 -12.702 1.545 1.00 0.00 H new ATOM 0 HD2 ARG A 37 3.469 -11.092 0.120 1.00 0.00 H new ATOM 0 HD3 ARG A 37 4.413 -10.394 1.421 1.00 0.00 H new ATOM 0 HE ARG A 37 6.064 -12.040 1.106 1.00 0.00 H new ATOM 0 HH11 ARG A 37 3.051 -13.022 -0.490 1.00 0.00 H new ATOM 0 HH12 ARG A 37 3.786 -14.416 -1.287 1.00 0.00 H new ATOM 0 HH21 ARG A 37 7.015 -13.843 0.076 1.00 0.00 H new ATOM 0 HH22 ARG A 37 6.037 -14.882 -0.966 1.00 0.00 H new ATOM 605 N LYS A 38 2.858 -9.401 5.499 1.00 0.00 N ATOM 606 CA LYS A 38 2.717 -8.185 6.281 1.00 0.00 C ATOM 607 C LYS A 38 2.554 -6.992 5.337 1.00 0.00 C ATOM 608 O LYS A 38 3.229 -6.910 4.312 1.00 0.00 O ATOM 609 CB LYS A 38 3.883 -8.038 7.261 1.00 0.00 C ATOM 610 CG LYS A 38 3.819 -6.698 7.995 1.00 0.00 C ATOM 611 CD LYS A 38 3.995 -6.889 9.502 1.00 0.00 C ATOM 612 CE LYS A 38 4.372 -5.571 10.182 1.00 0.00 C ATOM 613 NZ LYS A 38 4.637 -5.787 11.622 1.00 0.00 N ATOM 0 H LYS A 38 3.822 -9.681 5.316 1.00 0.00 H new ATOM 0 HA LYS A 38 1.818 -8.231 6.896 1.00 0.00 H new ATOM 0 HB2 LYS A 38 3.860 -8.854 7.984 1.00 0.00 H new ATOM 0 HB3 LYS A 38 4.827 -8.116 6.722 1.00 0.00 H new ATOM 0 HG2 LYS A 38 4.596 -6.034 7.616 1.00 0.00 H new ATOM 0 HG3 LYS A 38 2.862 -6.215 7.795 1.00 0.00 H new ATOM 0 HD2 LYS A 38 3.071 -7.274 9.934 1.00 0.00 H new ATOM 0 HD3 LYS A 38 4.769 -7.633 9.690 1.00 0.00 H new ATOM 0 HE2 LYS A 38 5.255 -5.148 9.703 1.00 0.00 H new ATOM 0 HE3 LYS A 38 3.566 -4.848 10.059 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 4.891 -4.882 12.068 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 3.785 -6.170 12.078 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 5.422 -6.460 11.733 1.00 0.00 H new ATOM 627 N PHE A 39 1.653 -6.097 5.716 1.00 0.00 N ATOM 628 CA PHE A 39 1.392 -4.913 4.916 1.00 0.00 C ATOM 629 C PHE A 39 1.392 -3.653 5.784 1.00 0.00 C ATOM 630 O PHE A 39 0.579 -3.524 6.698 1.00 0.00 O ATOM 631 CB PHE A 39 0.005 -5.089 4.294 1.00 0.00 C ATOM 632 CG PHE A 39 0.023 -5.727 2.904 1.00 0.00 C ATOM 633 CD1 PHE A 39 0.023 -7.082 2.777 1.00 0.00 C ATOM 634 CD2 PHE A 39 0.038 -4.941 1.795 1.00 0.00 C ATOM 635 CE1 PHE A 39 0.039 -7.674 1.487 1.00 0.00 C ATOM 636 CE2 PHE A 39 0.054 -5.533 0.504 1.00 0.00 C ATOM 637 CZ PHE A 39 0.055 -6.888 0.378 1.00 0.00 C ATOM 0 H PHE A 39 1.095 -6.168 6.567 1.00 0.00 H new ATOM 0 HA PHE A 39 2.167 -4.799 4.158 1.00 0.00 H new ATOM 0 HB2 PHE A 39 -0.604 -5.704 4.957 1.00 0.00 H new ATOM 0 HB3 PHE A 39 -0.479 -4.115 4.229 1.00 0.00 H new ATOM 0 HD1 PHE A 39 0.011 -7.707 3.658 1.00 0.00 H new ATOM 0 HD2 PHE A 39 0.038 -3.866 1.896 1.00 0.00 H new ATOM 0 HE1 PHE A 39 0.038 -8.749 1.387 1.00 0.00 H new ATOM 0 HE2 PHE A 39 0.065 -4.908 -0.377 1.00 0.00 H new ATOM 0 HZ PHE A 39 0.069 -7.339 -0.603 1.00 0.00 H new ATOM 647 N ILE A 40 2.315 -2.756 5.468 1.00 0.00 N ATOM 648 CA ILE A 40 2.432 -1.511 6.209 1.00 0.00 C ATOM 649 C ILE A 40 2.051 -0.343 5.297 1.00 0.00 C ATOM 650 O ILE A 40 2.554 -0.233 4.180 1.00 0.00 O ATOM 651 CB ILE A 40 3.827 -1.382 6.823 1.00 0.00 C ATOM 652 CG1 ILE A 40 4.115 -2.542 7.778 1.00 0.00 C ATOM 653 CG2 ILE A 40 4.003 -0.023 7.503 1.00 0.00 C ATOM 654 CD1 ILE A 40 5.595 -2.582 8.163 1.00 0.00 C ATOM 0 H ILE A 40 2.988 -2.866 4.710 1.00 0.00 H new ATOM 0 HA ILE A 40 1.737 -1.500 7.049 1.00 0.00 H new ATOM 0 HB ILE A 40 4.561 -1.437 6.019 1.00 0.00 H new ATOM 0 HG12 ILE A 40 3.505 -2.439 8.675 1.00 0.00 H new ATOM 0 HG13 ILE A 40 3.833 -3.484 7.307 1.00 0.00 H new ATOM 0 HG21 ILE A 40 5.003 0.043 7.931 1.00 0.00 H new ATOM 0 HG22 ILE A 40 3.870 0.771 6.769 1.00 0.00 H new ATOM 0 HG23 ILE A 40 3.262 0.087 8.294 1.00 0.00 H new ATOM 0 HD11 ILE A 40 5.772 -3.416 8.842 1.00 0.00 H new ATOM 0 HD12 ILE A 40 6.201 -2.710 7.266 1.00 0.00 H new ATOM 0 HD13 ILE A 40 5.868 -1.649 8.655 1.00 0.00 H new ATOM 666 N LEU A 41 1.166 0.501 5.807 1.00 0.00 N ATOM 667 CA LEU A 41 0.712 1.657 5.053 1.00 0.00 C ATOM 668 C LEU A 41 1.316 2.925 5.659 1.00 0.00 C ATOM 669 O LEU A 41 1.364 3.072 6.879 1.00 0.00 O ATOM 670 CB LEU A 41 -0.816 1.679 4.975 1.00 0.00 C ATOM 671 CG LEU A 41 -1.434 2.893 4.278 1.00 0.00 C ATOM 672 CD1 LEU A 41 -1.185 2.845 2.769 1.00 0.00 C ATOM 673 CD2 LEU A 41 -2.922 3.018 4.610 1.00 0.00 C ATOM 0 H LEU A 41 0.751 0.407 6.734 1.00 0.00 H new ATOM 0 HA LEU A 41 1.060 1.600 4.022 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -1.147 0.779 4.456 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -1.213 1.626 5.989 1.00 0.00 H new ATOM 0 HG LEU A 41 -0.944 3.790 4.657 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -1.635 3.719 2.298 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -0.112 2.841 2.577 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -1.631 1.940 2.355 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -3.336 3.889 4.102 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -3.445 2.121 4.278 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -3.046 3.133 5.687 1.00 0.00 H new ATOM 685 N ARG A 42 1.761 3.810 4.779 1.00 0.00 N ATOM 686 CA ARG A 42 2.359 5.061 5.212 1.00 0.00 C ATOM 687 C ARG A 42 1.914 6.206 4.300 1.00 0.00 C ATOM 688 O ARG A 42 2.063 6.128 3.082 1.00 0.00 O ATOM 689 CB ARG A 42 3.887 4.974 5.201 1.00 0.00 C ATOM 690 CG ARG A 42 4.362 3.618 5.726 1.00 0.00 C ATOM 691 CD ARG A 42 5.865 3.638 6.015 1.00 0.00 C ATOM 692 NE ARG A 42 6.160 4.606 7.095 1.00 0.00 N ATOM 693 CZ ARG A 42 7.378 4.798 7.619 1.00 0.00 C ATOM 694 NH1 ARG A 42 8.422 4.091 7.165 1.00 0.00 N ATOM 695 NH2 ARG A 42 7.552 5.698 8.596 1.00 0.00 N ATOM 0 H ARG A 42 1.719 3.685 3.768 1.00 0.00 H new ATOM 0 HA ARG A 42 2.024 5.253 6.231 1.00 0.00 H new ATOM 0 HB2 ARG A 42 4.256 5.125 4.187 1.00 0.00 H new ATOM 0 HB3 ARG A 42 4.305 5.772 5.814 1.00 0.00 H new ATOM 0 HG2 ARG A 42 3.817 3.365 6.635 1.00 0.00 H new ATOM 0 HG3 ARG A 42 4.139 2.842 4.994 1.00 0.00 H new ATOM 0 HD2 ARG A 42 6.201 2.643 6.306 1.00 0.00 H new ATOM 0 HD3 ARG A 42 6.414 3.909 5.113 1.00 0.00 H new ATOM 0 HE ARG A 42 5.388 5.162 7.463 1.00 0.00 H new ATOM 0 HH11 ARG A 42 8.289 3.407 6.420 1.00 0.00 H new ATOM 0 HH12 ARG A 42 9.349 4.237 7.564 1.00 0.00 H new ATOM 0 HH21 ARG A 42 6.757 6.237 8.941 1.00 0.00 H new ATOM 0 HH22 ARG A 42 8.479 5.844 8.995 1.00 0.00 H new ATOM 709 N GLU A 43 1.376 7.243 4.926 1.00 0.00 N ATOM 710 CA GLU A 43 0.909 8.403 4.186 1.00 0.00 C ATOM 711 C GLU A 43 1.897 9.561 4.335 1.00 0.00 C ATOM 712 O GLU A 43 2.447 9.778 5.413 1.00 0.00 O ATOM 713 CB GLU A 43 -0.493 8.815 4.642 1.00 0.00 C ATOM 714 CG GLU A 43 -0.491 9.225 6.116 1.00 0.00 C ATOM 715 CD GLU A 43 -1.027 10.647 6.290 1.00 0.00 C ATOM 716 OE1 GLU A 43 -2.057 10.949 5.648 1.00 0.00 O ATOM 717 OE2 GLU A 43 -0.395 11.401 7.061 1.00 0.00 O ATOM 0 H GLU A 43 1.253 7.304 5.937 1.00 0.00 H new ATOM 0 HA GLU A 43 0.849 8.137 3.131 1.00 0.00 H new ATOM 0 HB2 GLU A 43 -0.849 9.644 4.031 1.00 0.00 H new ATOM 0 HB3 GLU A 43 -1.186 7.987 4.492 1.00 0.00 H new ATOM 0 HG2 GLU A 43 -1.102 8.529 6.691 1.00 0.00 H new ATOM 0 HG3 GLU A 43 0.522 9.163 6.513 1.00 0.00 H new ATOM 724 N ASP A 44 2.091 10.276 3.236 1.00 0.00 N ATOM 725 CA ASP A 44 3.003 11.407 3.231 1.00 0.00 C ATOM 726 C ASP A 44 4.379 10.949 3.720 1.00 0.00 C ATOM 727 O ASP A 44 4.763 11.228 4.855 1.00 0.00 O ATOM 728 CB ASP A 44 2.514 12.514 4.167 1.00 0.00 C ATOM 729 CG ASP A 44 2.956 13.927 3.784 1.00 0.00 C ATOM 730 OD1 ASP A 44 2.336 14.484 2.853 1.00 0.00 O ATOM 731 OD2 ASP A 44 3.906 14.419 4.431 1.00 0.00 O ATOM 0 H ASP A 44 1.632 10.094 2.343 1.00 0.00 H new ATOM 0 HA ASP A 44 3.056 11.793 2.213 1.00 0.00 H new ATOM 0 HB2 ASP A 44 1.425 12.487 4.200 1.00 0.00 H new ATOM 0 HB3 ASP A 44 2.869 12.299 5.175 1.00 0.00 H new ATOM 736 N PRO A 45 5.103 10.237 2.815 1.00 0.00 N ATOM 737 CA PRO A 45 4.574 9.951 1.492 1.00 0.00 C ATOM 738 C PRO A 45 3.507 8.856 1.553 1.00 0.00 C ATOM 739 O PRO A 45 3.334 8.209 2.584 1.00 0.00 O ATOM 740 CB PRO A 45 5.784 9.555 0.662 1.00 0.00 C ATOM 741 CG PRO A 45 6.870 9.184 1.659 1.00 0.00 C ATOM 742 CD PRO A 45 6.438 9.686 3.027 1.00 0.00 C ATOM 0 HA PRO A 45 4.066 10.807 1.048 1.00 0.00 H new ATOM 0 HB2 PRO A 45 5.551 8.715 0.008 1.00 0.00 H new ATOM 0 HB3 PRO A 45 6.105 10.377 0.023 1.00 0.00 H new ATOM 0 HG2 PRO A 45 7.018 8.104 1.678 1.00 0.00 H new ATOM 0 HG3 PRO A 45 7.821 9.631 1.371 1.00 0.00 H new ATOM 0 HD2 PRO A 45 6.421 8.878 3.758 1.00 0.00 H new ATOM 0 HD3 PRO A 45 7.124 10.444 3.405 1.00 0.00 H new ATOM 750 N ALA A 46 2.817 8.684 0.434 1.00 0.00 N ATOM 751 CA ALA A 46 1.772 7.679 0.348 1.00 0.00 C ATOM 752 C ALA A 46 2.333 6.421 -0.320 1.00 0.00 C ATOM 753 O ALA A 46 2.408 6.346 -1.545 1.00 0.00 O ATOM 754 CB ALA A 46 0.572 8.254 -0.408 1.00 0.00 C ATOM 0 H ALA A 46 2.962 9.224 -0.419 1.00 0.00 H new ATOM 0 HA ALA A 46 1.427 7.398 1.343 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -0.212 7.500 -0.473 1.00 0.00 H new ATOM 0 HB2 ALA A 46 0.193 9.128 0.122 1.00 0.00 H new ATOM 0 HB3 ALA A 46 0.880 8.544 -1.412 1.00 0.00 H new ATOM 760 N TYR A 47 2.712 5.466 0.516 1.00 0.00 N ATOM 761 CA TYR A 47 3.264 4.216 0.023 1.00 0.00 C ATOM 762 C TYR A 47 2.900 3.053 0.948 1.00 0.00 C ATOM 763 O TYR A 47 2.775 3.233 2.158 1.00 0.00 O ATOM 764 CB TYR A 47 4.783 4.396 0.023 1.00 0.00 C ATOM 765 CG TYR A 47 5.336 5.018 -1.261 1.00 0.00 C ATOM 766 CD1 TYR A 47 5.123 4.398 -2.475 1.00 0.00 C ATOM 767 CD2 TYR A 47 6.049 6.198 -1.204 1.00 0.00 C ATOM 768 CE1 TYR A 47 5.644 4.983 -3.683 1.00 0.00 C ATOM 769 CE2 TYR A 47 6.570 6.784 -2.413 1.00 0.00 C ATOM 770 CZ TYR A 47 6.342 6.147 -3.593 1.00 0.00 C ATOM 771 OH TYR A 47 6.833 6.700 -4.734 1.00 0.00 O ATOM 0 H TYR A 47 2.648 5.533 1.532 1.00 0.00 H new ATOM 0 HA TYR A 47 2.870 3.987 -0.967 1.00 0.00 H new ATOM 0 HB2 TYR A 47 5.064 5.023 0.869 1.00 0.00 H new ATOM 0 HB3 TYR A 47 5.254 3.425 0.176 1.00 0.00 H new ATOM 0 HD1 TYR A 47 4.566 3.474 -2.519 1.00 0.00 H new ATOM 0 HD2 TYR A 47 6.217 6.682 -0.253 1.00 0.00 H new ATOM 0 HE1 TYR A 47 5.484 4.508 -4.640 1.00 0.00 H new ATOM 0 HE2 TYR A 47 7.129 7.708 -2.383 1.00 0.00 H new ATOM 0 HH TYR A 47 6.090 6.956 -5.320 1.00 0.00 H new ATOM 781 N LEU A 48 2.741 1.885 0.343 1.00 0.00 N ATOM 782 CA LEU A 48 2.394 0.692 1.097 1.00 0.00 C ATOM 783 C LEU A 48 3.508 -0.345 0.944 1.00 0.00 C ATOM 784 O LEU A 48 3.735 -0.860 -0.150 1.00 0.00 O ATOM 785 CB LEU A 48 1.014 0.178 0.682 1.00 0.00 C ATOM 786 CG LEU A 48 0.672 -1.249 1.114 1.00 0.00 C ATOM 787 CD1 LEU A 48 1.544 -2.268 0.378 1.00 0.00 C ATOM 788 CD2 LEU A 48 0.772 -1.401 2.633 1.00 0.00 C ATOM 0 H LEU A 48 2.846 1.739 -0.661 1.00 0.00 H new ATOM 0 HA LEU A 48 2.316 0.922 2.160 1.00 0.00 H new ATOM 0 HB2 LEU A 48 0.260 0.851 1.090 1.00 0.00 H new ATOM 0 HB3 LEU A 48 0.938 0.236 -0.404 1.00 0.00 H new ATOM 0 HG LEU A 48 -0.363 -1.451 0.838 1.00 0.00 H new ATOM 0 HD11 LEU A 48 1.281 -3.274 0.703 1.00 0.00 H new ATOM 0 HD12 LEU A 48 1.380 -2.179 -0.696 1.00 0.00 H new ATOM 0 HD13 LEU A 48 2.594 -2.077 0.601 1.00 0.00 H new ATOM 0 HD21 LEU A 48 0.524 -2.425 2.913 1.00 0.00 H new ATOM 0 HD22 LEU A 48 1.788 -1.173 2.955 1.00 0.00 H new ATOM 0 HD23 LEU A 48 0.076 -0.714 3.114 1.00 0.00 H new ATOM 800 N HIS A 49 4.174 -0.621 2.056 1.00 0.00 N ATOM 801 CA HIS A 49 5.258 -1.588 2.058 1.00 0.00 C ATOM 802 C HIS A 49 4.807 -2.863 2.772 1.00 0.00 C ATOM 803 O HIS A 49 4.230 -2.801 3.857 1.00 0.00 O ATOM 804 CB HIS A 49 6.524 -0.982 2.669 1.00 0.00 C ATOM 805 CG HIS A 49 7.170 0.081 1.814 1.00 0.00 C ATOM 806 ND1 HIS A 49 6.744 1.398 1.806 1.00 0.00 N ATOM 807 CD2 HIS A 49 8.216 0.009 0.941 1.00 0.00 C ATOM 808 CE1 HIS A 49 7.505 2.079 0.961 1.00 0.00 C ATOM 809 NE2 HIS A 49 8.416 1.216 0.426 1.00 0.00 N ATOM 0 H HIS A 49 3.984 -0.192 2.961 1.00 0.00 H new ATOM 0 HA HIS A 49 5.512 -1.858 1.033 1.00 0.00 H new ATOM 0 HB2 HIS A 49 6.277 -0.552 3.640 1.00 0.00 H new ATOM 0 HB3 HIS A 49 7.246 -1.779 2.848 1.00 0.00 H new ATOM 0 HD2 HIS A 49 8.785 -0.879 0.708 1.00 0.00 H new ATOM 0 HE1 HIS A 49 7.419 3.132 0.736 1.00 0.00 H new ATOM 0 HE2 HIS A 49 9.133 1.458 -0.258 1.00 0.00 H new ATOM 817 N TYR A 50 5.087 -3.991 2.135 1.00 0.00 N ATOM 818 CA TYR A 50 4.717 -5.279 2.695 1.00 0.00 C ATOM 819 C TYR A 50 5.939 -6.189 2.831 1.00 0.00 C ATOM 820 O TYR A 50 6.681 -6.387 1.870 1.00 0.00 O ATOM 821 CB TYR A 50 3.738 -5.906 1.701 1.00 0.00 C ATOM 822 CG TYR A 50 4.203 -5.841 0.244 1.00 0.00 C ATOM 823 CD1 TYR A 50 3.896 -4.740 -0.529 1.00 0.00 C ATOM 824 CD2 TYR A 50 4.929 -6.883 -0.295 1.00 0.00 C ATOM 825 CE1 TYR A 50 4.334 -4.679 -1.900 1.00 0.00 C ATOM 826 CE2 TYR A 50 5.366 -6.822 -1.666 1.00 0.00 C ATOM 827 CZ TYR A 50 5.047 -5.723 -2.400 1.00 0.00 C ATOM 828 OH TYR A 50 5.460 -5.665 -3.695 1.00 0.00 O ATOM 0 H TYR A 50 5.566 -4.039 1.236 1.00 0.00 H new ATOM 0 HA TYR A 50 4.283 -5.155 3.687 1.00 0.00 H new ATOM 0 HB2 TYR A 50 3.577 -6.949 1.974 1.00 0.00 H new ATOM 0 HB3 TYR A 50 2.776 -5.402 1.787 1.00 0.00 H new ATOM 0 HD1 TYR A 50 3.328 -3.925 -0.106 1.00 0.00 H new ATOM 0 HD2 TYR A 50 5.170 -7.744 0.311 1.00 0.00 H new ATOM 0 HE1 TYR A 50 4.101 -3.823 -2.517 1.00 0.00 H new ATOM 0 HE2 TYR A 50 5.934 -7.631 -2.101 1.00 0.00 H new ATOM 0 HH TYR A 50 5.959 -6.479 -3.916 1.00 0.00 H new ATOM 838 N TYR A 51 6.112 -6.718 4.034 1.00 0.00 N ATOM 839 CA TYR A 51 7.232 -7.603 4.308 1.00 0.00 C ATOM 840 C TYR A 51 6.747 -9.016 4.636 1.00 0.00 C ATOM 841 O TYR A 51 5.553 -9.237 4.830 1.00 0.00 O ATOM 842 CB TYR A 51 7.938 -7.021 5.535 1.00 0.00 C ATOM 843 CG TYR A 51 8.176 -5.512 5.458 1.00 0.00 C ATOM 844 CD1 TYR A 51 7.134 -4.636 5.686 1.00 0.00 C ATOM 845 CD2 TYR A 51 9.434 -5.026 5.162 1.00 0.00 C ATOM 846 CE1 TYR A 51 7.359 -3.216 5.614 1.00 0.00 C ATOM 847 CE2 TYR A 51 9.658 -3.606 5.090 1.00 0.00 C ATOM 848 CZ TYR A 51 8.610 -2.770 5.319 1.00 0.00 C ATOM 849 OH TYR A 51 8.822 -1.429 5.251 1.00 0.00 O ATOM 0 H TYR A 51 5.496 -6.551 4.829 1.00 0.00 H new ATOM 0 HA TYR A 51 7.889 -7.671 3.441 1.00 0.00 H new ATOM 0 HB2 TYR A 51 7.343 -7.240 6.422 1.00 0.00 H new ATOM 0 HB3 TYR A 51 8.897 -7.524 5.662 1.00 0.00 H new ATOM 0 HD1 TYR A 51 6.150 -5.016 5.918 1.00 0.00 H new ATOM 0 HD2 TYR A 51 10.250 -5.711 4.985 1.00 0.00 H new ATOM 0 HE1 TYR A 51 6.552 -2.520 5.790 1.00 0.00 H new ATOM 0 HE2 TYR A 51 10.637 -3.213 4.859 1.00 0.00 H new ATOM 0 HH TYR A 51 9.762 -1.257 5.033 1.00 0.00 H new ATOM 859 N ASP A 52 7.698 -9.937 4.687 1.00 0.00 N ATOM 860 CA ASP A 52 7.383 -11.323 4.988 1.00 0.00 C ATOM 861 C ASP A 52 7.104 -11.465 6.485 1.00 0.00 C ATOM 862 O ASP A 52 7.762 -10.827 7.306 1.00 0.00 O ATOM 863 CB ASP A 52 8.554 -12.243 4.636 1.00 0.00 C ATOM 864 CG ASP A 52 8.251 -13.740 4.731 1.00 0.00 C ATOM 865 OD1 ASP A 52 8.039 -14.205 5.871 1.00 0.00 O ATOM 866 OD2 ASP A 52 8.239 -14.385 3.660 1.00 0.00 O ATOM 0 H ASP A 52 8.688 -9.750 4.525 1.00 0.00 H new ATOM 0 HA ASP A 52 6.512 -11.606 4.398 1.00 0.00 H new ATOM 0 HB2 ASP A 52 8.881 -12.018 3.621 1.00 0.00 H new ATOM 0 HB3 ASP A 52 9.389 -12.014 5.299 1.00 0.00 H new ATOM 871 N PRO A 53 6.101 -12.326 6.804 1.00 0.00 N ATOM 872 CA PRO A 53 5.727 -12.560 8.189 1.00 0.00 C ATOM 873 C PRO A 53 6.758 -13.444 8.894 1.00 0.00 C ATOM 874 O PRO A 53 7.182 -13.142 10.008 1.00 0.00 O ATOM 875 CB PRO A 53 4.347 -13.193 8.122 1.00 0.00 C ATOM 876 CG PRO A 53 4.197 -13.716 6.703 1.00 0.00 C ATOM 877 CD PRO A 53 5.300 -13.098 5.859 1.00 0.00 C ATOM 0 HA PRO A 53 5.702 -11.644 8.779 1.00 0.00 H new ATOM 0 HB2 PRO A 53 4.252 -14.001 8.848 1.00 0.00 H new ATOM 0 HB3 PRO A 53 3.571 -12.463 8.353 1.00 0.00 H new ATOM 0 HG2 PRO A 53 4.269 -14.804 6.688 1.00 0.00 H new ATOM 0 HG3 PRO A 53 3.218 -13.455 6.302 1.00 0.00 H new ATOM 0 HD2 PRO A 53 5.898 -13.864 5.366 1.00 0.00 H new ATOM 0 HD3 PRO A 53 4.889 -12.461 5.075 1.00 0.00 H new ATOM 885 N ALA A 54 7.131 -14.519 8.215 1.00 0.00 N ATOM 886 CA ALA A 54 8.104 -15.449 8.762 1.00 0.00 C ATOM 887 C ALA A 54 9.303 -14.667 9.302 1.00 0.00 C ATOM 888 O ALA A 54 9.879 -15.035 10.325 1.00 0.00 O ATOM 889 CB ALA A 54 8.505 -16.460 7.686 1.00 0.00 C ATOM 0 H ALA A 54 6.777 -14.767 7.291 1.00 0.00 H new ATOM 0 HA ALA A 54 7.674 -16.009 9.592 1.00 0.00 H new ATOM 0 HB1 ALA A 54 9.235 -17.158 8.096 1.00 0.00 H new ATOM 0 HB2 ALA A 54 7.623 -17.009 7.356 1.00 0.00 H new ATOM 0 HB3 ALA A 54 8.943 -15.934 6.838 1.00 0.00 H new ATOM 895 N GLY A 55 9.644 -13.602 8.591 1.00 0.00 N ATOM 896 CA GLY A 55 10.764 -12.765 8.987 1.00 0.00 C ATOM 897 C GLY A 55 11.476 -12.188 7.762 1.00 0.00 C ATOM 898 O GLY A 55 11.552 -12.837 6.720 1.00 0.00 O ATOM 0 H GLY A 55 9.164 -13.300 7.743 1.00 0.00 H new ATOM 0 HA2 GLY A 55 10.409 -11.953 9.622 1.00 0.00 H new ATOM 0 HA3 GLY A 55 11.468 -13.349 9.580 1.00 0.00 H new ATOM 902 N ALA A 56 11.980 -10.974 7.928 1.00 0.00 N ATOM 903 CA ALA A 56 12.683 -10.301 6.849 1.00 0.00 C ATOM 904 C ALA A 56 13.250 -8.976 7.362 1.00 0.00 C ATOM 905 O ALA A 56 13.053 -8.622 8.524 1.00 0.00 O ATOM 906 CB ALA A 56 11.736 -10.110 5.663 1.00 0.00 C ATOM 0 H ALA A 56 11.915 -10.439 8.794 1.00 0.00 H new ATOM 0 HA ALA A 56 13.521 -10.905 6.503 1.00 0.00 H new ATOM 0 HB1 ALA A 56 12.264 -9.605 4.854 1.00 0.00 H new ATOM 0 HB2 ALA A 56 11.386 -11.082 5.317 1.00 0.00 H new ATOM 0 HB3 ALA A 56 10.883 -9.506 5.972 1.00 0.00 H new ATOM 912 N GLU A 57 13.942 -8.280 6.472 1.00 0.00 N ATOM 913 CA GLU A 57 14.538 -7.002 6.821 1.00 0.00 C ATOM 914 C GLU A 57 13.959 -5.889 5.945 1.00 0.00 C ATOM 915 O GLU A 57 13.372 -4.936 6.454 1.00 0.00 O ATOM 916 CB GLU A 57 16.062 -7.057 6.702 1.00 0.00 C ATOM 917 CG GLU A 57 16.718 -5.956 7.537 1.00 0.00 C ATOM 918 CD GLU A 57 17.268 -6.518 8.850 1.00 0.00 C ATOM 919 OE1 GLU A 57 18.223 -7.320 8.768 1.00 0.00 O ATOM 920 OE2 GLU A 57 16.721 -6.132 9.905 1.00 0.00 O ATOM 0 H GLU A 57 14.103 -8.577 5.510 1.00 0.00 H new ATOM 0 HA GLU A 57 14.296 -6.782 7.861 1.00 0.00 H new ATOM 0 HB2 GLU A 57 16.421 -8.032 7.033 1.00 0.00 H new ATOM 0 HB3 GLU A 57 16.353 -6.948 5.657 1.00 0.00 H new ATOM 0 HG2 GLU A 57 17.525 -5.495 6.968 1.00 0.00 H new ATOM 0 HG3 GLU A 57 15.990 -5.173 7.749 1.00 0.00 H new ATOM 927 N ASP A 58 14.145 -6.048 4.643 1.00 0.00 N ATOM 928 CA ASP A 58 13.649 -5.069 3.691 1.00 0.00 C ATOM 929 C ASP A 58 12.276 -5.511 3.180 1.00 0.00 C ATOM 930 O ASP A 58 11.931 -6.688 3.259 1.00 0.00 O ATOM 931 CB ASP A 58 14.585 -4.947 2.487 1.00 0.00 C ATOM 932 CG ASP A 58 15.173 -6.268 1.989 1.00 0.00 C ATOM 933 OD1 ASP A 58 16.015 -6.828 2.725 1.00 0.00 O ATOM 934 OD2 ASP A 58 14.768 -6.689 0.884 1.00 0.00 O ATOM 0 H ASP A 58 14.633 -6.840 4.225 1.00 0.00 H new ATOM 0 HA ASP A 58 13.588 -4.106 4.199 1.00 0.00 H new ATOM 0 HB2 ASP A 58 14.040 -4.478 1.668 1.00 0.00 H new ATOM 0 HB3 ASP A 58 15.404 -4.278 2.749 1.00 0.00 H new ATOM 939 N PRO A 59 11.512 -4.517 2.654 1.00 0.00 N ATOM 940 CA PRO A 59 10.185 -4.792 2.130 1.00 0.00 C ATOM 941 C PRO A 59 10.265 -5.495 0.773 1.00 0.00 C ATOM 942 O PRO A 59 11.027 -5.082 -0.100 1.00 0.00 O ATOM 943 CB PRO A 59 9.502 -3.436 2.055 1.00 0.00 C ATOM 944 CG PRO A 59 10.619 -2.405 2.098 1.00 0.00 C ATOM 945 CD PRO A 59 11.889 -3.111 2.544 1.00 0.00 C ATOM 0 HA PRO A 59 9.618 -5.475 2.762 1.00 0.00 H new ATOM 0 HB2 PRO A 59 8.919 -3.342 1.139 1.00 0.00 H new ATOM 0 HB3 PRO A 59 8.812 -3.299 2.888 1.00 0.00 H new ATOM 0 HG2 PRO A 59 10.759 -1.953 1.116 1.00 0.00 H new ATOM 0 HG3 PRO A 59 10.368 -1.599 2.788 1.00 0.00 H new ATOM 0 HD2 PRO A 59 12.694 -2.972 1.822 1.00 0.00 H new ATOM 0 HD3 PRO A 59 12.245 -2.721 3.497 1.00 0.00 H new ATOM 953 N LEU A 60 9.470 -6.547 0.640 1.00 0.00 N ATOM 954 CA LEU A 60 9.442 -7.311 -0.596 1.00 0.00 C ATOM 955 C LEU A 60 9.200 -6.364 -1.772 1.00 0.00 C ATOM 956 O LEU A 60 9.742 -6.564 -2.857 1.00 0.00 O ATOM 957 CB LEU A 60 8.421 -8.446 -0.500 1.00 0.00 C ATOM 958 CG LEU A 60 8.666 -9.478 0.603 1.00 0.00 C ATOM 959 CD1 LEU A 60 7.386 -9.746 1.398 1.00 0.00 C ATOM 960 CD2 LEU A 60 9.263 -10.764 0.029 1.00 0.00 C ATOM 0 H LEU A 60 8.841 -6.888 1.367 1.00 0.00 H new ATOM 0 HA LEU A 60 10.405 -7.792 -0.768 1.00 0.00 H new ATOM 0 HB2 LEU A 60 7.434 -8.008 -0.348 1.00 0.00 H new ATOM 0 HB3 LEU A 60 8.395 -8.966 -1.457 1.00 0.00 H new ATOM 0 HG LEU A 60 9.397 -9.066 1.299 1.00 0.00 H new ATOM 0 HD11 LEU A 60 7.588 -10.483 2.175 1.00 0.00 H new ATOM 0 HD12 LEU A 60 7.042 -8.819 1.857 1.00 0.00 H new ATOM 0 HD13 LEU A 60 6.615 -10.127 0.728 1.00 0.00 H new ATOM 0 HD21 LEU A 60 9.427 -11.480 0.834 1.00 0.00 H new ATOM 0 HD22 LEU A 60 8.575 -11.190 -0.701 1.00 0.00 H new ATOM 0 HD23 LEU A 60 10.213 -10.539 -0.456 1.00 0.00 H new ATOM 972 N GLY A 61 8.384 -5.351 -1.516 1.00 0.00 N ATOM 973 CA GLY A 61 8.064 -4.372 -2.541 1.00 0.00 C ATOM 974 C GLY A 61 7.254 -3.212 -1.956 1.00 0.00 C ATOM 975 O GLY A 61 7.115 -3.098 -0.740 1.00 0.00 O ATOM 0 H GLY A 61 7.936 -5.188 -0.615 1.00 0.00 H new ATOM 0 HA2 GLY A 61 8.984 -3.991 -2.985 1.00 0.00 H new ATOM 0 HA3 GLY A 61 7.498 -4.849 -3.341 1.00 0.00 H new ATOM 979 N ALA A 62 6.742 -2.380 -2.851 1.00 0.00 N ATOM 980 CA ALA A 62 5.950 -1.234 -2.440 1.00 0.00 C ATOM 981 C ALA A 62 4.764 -1.069 -3.393 1.00 0.00 C ATOM 982 O ALA A 62 4.748 -1.653 -4.475 1.00 0.00 O ATOM 983 CB ALA A 62 6.839 0.011 -2.395 1.00 0.00 C ATOM 0 H ALA A 62 6.860 -2.477 -3.859 1.00 0.00 H new ATOM 0 HA ALA A 62 5.548 -1.385 -1.438 1.00 0.00 H new ATOM 0 HB1 ALA A 62 6.245 0.871 -2.087 1.00 0.00 H new ATOM 0 HB2 ALA A 62 7.648 -0.145 -1.682 1.00 0.00 H new ATOM 0 HB3 ALA A 62 7.258 0.195 -3.384 1.00 0.00 H new ATOM 989 N ILE A 63 3.801 -0.272 -2.955 1.00 0.00 N ATOM 990 CA ILE A 63 2.614 -0.023 -3.756 1.00 0.00 C ATOM 991 C ILE A 63 2.359 1.483 -3.828 1.00 0.00 C ATOM 992 O ILE A 63 1.915 2.089 -2.853 1.00 0.00 O ATOM 993 CB ILE A 63 1.426 -0.823 -3.216 1.00 0.00 C ATOM 994 CG1 ILE A 63 1.647 -2.326 -3.404 1.00 0.00 C ATOM 995 CG2 ILE A 63 0.116 -0.353 -3.850 1.00 0.00 C ATOM 996 CD1 ILE A 63 0.854 -3.129 -2.371 1.00 0.00 C ATOM 0 H ILE A 63 3.818 0.210 -2.056 1.00 0.00 H new ATOM 0 HA ILE A 63 2.765 -0.370 -4.778 1.00 0.00 H new ATOM 0 HB ILE A 63 1.349 -0.640 -2.144 1.00 0.00 H new ATOM 0 HG12 ILE A 63 1.344 -2.619 -4.409 1.00 0.00 H new ATOM 0 HG13 ILE A 63 2.709 -2.556 -3.312 1.00 0.00 H new ATOM 0 HG21 ILE A 63 -0.712 -0.937 -3.449 1.00 0.00 H new ATOM 0 HG22 ILE A 63 -0.040 0.701 -3.623 1.00 0.00 H new ATOM 0 HG23 ILE A 63 0.166 -0.488 -4.930 1.00 0.00 H new ATOM 0 HD11 ILE A 63 1.028 -4.194 -2.526 1.00 0.00 H new ATOM 0 HD12 ILE A 63 1.177 -2.851 -1.368 1.00 0.00 H new ATOM 0 HD13 ILE A 63 -0.209 -2.915 -2.482 1.00 0.00 H new ATOM 1008 N HIS A 64 2.650 2.046 -4.991 1.00 0.00 N ATOM 1009 CA HIS A 64 2.458 3.470 -5.203 1.00 0.00 C ATOM 1010 C HIS A 64 1.012 3.848 -4.873 1.00 0.00 C ATOM 1011 O HIS A 64 0.076 3.198 -5.337 1.00 0.00 O ATOM 1012 CB HIS A 64 2.865 3.869 -6.623 1.00 0.00 C ATOM 1013 CG HIS A 64 3.369 5.287 -6.742 1.00 0.00 C ATOM 1014 ND1 HIS A 64 3.762 5.844 -7.947 1.00 0.00 N ATOM 1015 CD2 HIS A 64 3.538 6.256 -5.797 1.00 0.00 C ATOM 1016 CE1 HIS A 64 4.149 7.092 -7.724 1.00 0.00 C ATOM 1017 NE2 HIS A 64 4.010 7.344 -6.391 1.00 0.00 N ATOM 0 H HIS A 64 3.018 1.541 -5.797 1.00 0.00 H new ATOM 0 HA HIS A 64 3.107 4.031 -4.531 1.00 0.00 H new ATOM 0 HB2 HIS A 64 3.641 3.188 -6.972 1.00 0.00 H new ATOM 0 HB3 HIS A 64 2.008 3.742 -7.285 1.00 0.00 H new ATOM 0 HD1 HIS A 64 3.755 5.374 -8.852 1.00 0.00 H new ATOM 0 HD2 HIS A 64 3.324 6.155 -4.743 1.00 0.00 H new ATOM 0 HE1 HIS A 64 4.511 7.787 -8.467 1.00 0.00 H new ATOM 1025 N LEU A 65 0.875 4.896 -4.075 1.00 0.00 N ATOM 1026 CA LEU A 65 -0.441 5.368 -3.678 1.00 0.00 C ATOM 1027 C LEU A 65 -0.683 6.754 -4.278 1.00 0.00 C ATOM 1028 O LEU A 65 -1.668 7.413 -3.948 1.00 0.00 O ATOM 1029 CB LEU A 65 -0.589 5.322 -2.156 1.00 0.00 C ATOM 1030 CG LEU A 65 -0.146 4.024 -1.478 1.00 0.00 C ATOM 1031 CD1 LEU A 65 -0.185 4.160 0.046 1.00 0.00 C ATOM 1032 CD2 LEU A 65 -0.978 2.837 -1.968 1.00 0.00 C ATOM 0 H LEU A 65 1.654 5.432 -3.692 1.00 0.00 H new ATOM 0 HA LEU A 65 -1.217 4.711 -4.071 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -0.015 6.145 -1.730 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -1.635 5.500 -1.907 1.00 0.00 H new ATOM 0 HG LEU A 65 0.889 3.829 -1.758 1.00 0.00 H new ATOM 0 HD11 LEU A 65 0.134 3.223 0.503 1.00 0.00 H new ATOM 0 HD12 LEU A 65 0.484 4.962 0.357 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -1.201 4.391 0.365 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -0.642 1.927 -1.470 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -2.029 3.010 -1.738 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -0.856 2.727 -3.046 1.00 0.00 H new ATOM 1044 N ARG A 66 0.231 7.155 -5.149 1.00 0.00 N ATOM 1045 CA ARG A 66 0.129 8.452 -5.798 1.00 0.00 C ATOM 1046 C ARG A 66 -1.239 8.604 -6.465 1.00 0.00 C ATOM 1047 O ARG A 66 -2.013 9.490 -6.107 1.00 0.00 O ATOM 1048 CB ARG A 66 1.225 8.629 -6.850 1.00 0.00 C ATOM 1049 CG ARG A 66 2.163 9.779 -6.477 1.00 0.00 C ATOM 1050 CD ARG A 66 2.823 10.374 -7.723 1.00 0.00 C ATOM 1051 NE ARG A 66 2.772 11.851 -7.666 1.00 0.00 N ATOM 1052 CZ ARG A 66 3.507 12.659 -8.443 1.00 0.00 C ATOM 1053 NH1 ARG A 66 4.353 12.137 -9.341 1.00 0.00 N ATOM 1054 NH2 ARG A 66 3.395 13.989 -8.323 1.00 0.00 N ATOM 0 H ARG A 66 1.046 6.605 -5.421 1.00 0.00 H new ATOM 0 HA ARG A 66 0.251 9.218 -5.032 1.00 0.00 H new ATOM 0 HB2 ARG A 66 1.796 7.705 -6.944 1.00 0.00 H new ATOM 0 HB3 ARG A 66 0.773 8.825 -7.822 1.00 0.00 H new ATOM 0 HG2 ARG A 66 1.604 10.554 -5.952 1.00 0.00 H new ATOM 0 HG3 ARG A 66 2.930 9.420 -5.791 1.00 0.00 H new ATOM 0 HD2 ARG A 66 3.858 10.040 -7.791 1.00 0.00 H new ATOM 0 HD3 ARG A 66 2.314 10.019 -8.619 1.00 0.00 H new ATOM 0 HE ARG A 66 2.138 12.282 -6.993 1.00 0.00 H new ATOM 0 HH11 ARG A 66 4.438 11.125 -9.433 1.00 0.00 H new ATOM 0 HH12 ARG A 66 4.912 12.752 -9.932 1.00 0.00 H new ATOM 0 HH21 ARG A 66 2.750 14.387 -7.640 1.00 0.00 H new ATOM 0 HH22 ARG A 66 3.955 14.603 -8.914 1.00 0.00 H new ATOM 1068 N GLY A 67 -1.495 7.727 -7.425 1.00 0.00 N ATOM 1069 CA GLY A 67 -2.756 7.753 -8.146 1.00 0.00 C ATOM 1070 C GLY A 67 -3.416 6.372 -8.146 1.00 0.00 C ATOM 1071 O GLY A 67 -4.121 6.018 -9.090 1.00 0.00 O ATOM 0 H GLY A 67 -0.850 6.994 -7.720 1.00 0.00 H new ATOM 0 HA2 GLY A 67 -3.426 8.480 -7.688 1.00 0.00 H new ATOM 0 HA3 GLY A 67 -2.586 8.079 -9.172 1.00 0.00 H new ATOM 1075 N CYS A 68 -3.163 5.630 -7.078 1.00 0.00 N ATOM 1076 CA CYS A 68 -3.724 4.297 -6.944 1.00 0.00 C ATOM 1077 C CYS A 68 -5.247 4.422 -6.859 1.00 0.00 C ATOM 1078 O CYS A 68 -5.783 5.529 -6.860 1.00 0.00 O ATOM 1079 CB CYS A 68 -3.144 3.558 -5.736 1.00 0.00 C ATOM 1080 SG CYS A 68 -3.740 4.328 -4.186 1.00 0.00 S ATOM 0 H CYS A 68 -2.577 5.927 -6.298 1.00 0.00 H new ATOM 0 HA CYS A 68 -3.458 3.699 -7.816 1.00 0.00 H new ATOM 0 HB2 CYS A 68 -3.437 2.508 -5.766 1.00 0.00 H new ATOM 0 HB3 CYS A 68 -2.055 3.586 -5.770 1.00 0.00 H new ATOM 0 HG CYS A 68 -3.613 3.484 -3.205 1.00 0.00 H new ATOM 1086 N VAL A 69 -5.900 3.272 -6.788 1.00 0.00 N ATOM 1087 CA VAL A 69 -7.350 3.239 -6.703 1.00 0.00 C ATOM 1088 C VAL A 69 -7.774 2.141 -5.725 1.00 0.00 C ATOM 1089 O VAL A 69 -7.155 1.079 -5.671 1.00 0.00 O ATOM 1090 CB VAL A 69 -7.952 3.062 -8.098 1.00 0.00 C ATOM 1091 CG1 VAL A 69 -9.477 3.180 -8.056 1.00 0.00 C ATOM 1092 CG2 VAL A 69 -7.352 4.065 -9.085 1.00 0.00 C ATOM 0 H VAL A 69 -5.452 2.356 -6.788 1.00 0.00 H new ATOM 0 HA VAL A 69 -7.732 4.184 -6.317 1.00 0.00 H new ATOM 0 HB VAL A 69 -7.703 2.059 -8.446 1.00 0.00 H new ATOM 0 HG11 VAL A 69 -9.880 3.050 -9.061 1.00 0.00 H new ATOM 0 HG12 VAL A 69 -9.884 2.410 -7.400 1.00 0.00 H new ATOM 0 HG13 VAL A 69 -9.756 4.164 -7.678 1.00 0.00 H new ATOM 0 HG21 VAL A 69 -7.797 3.918 -10.069 1.00 0.00 H new ATOM 0 HG22 VAL A 69 -7.556 5.079 -8.742 1.00 0.00 H new ATOM 0 HG23 VAL A 69 -6.274 3.914 -9.148 1.00 0.00 H new ATOM 1102 N VAL A 70 -8.827 2.434 -4.976 1.00 0.00 N ATOM 1103 CA VAL A 70 -9.341 1.486 -4.003 1.00 0.00 C ATOM 1104 C VAL A 70 -10.726 1.009 -4.445 1.00 0.00 C ATOM 1105 O VAL A 70 -11.546 1.807 -4.897 1.00 0.00 O ATOM 1106 CB VAL A 70 -9.342 2.115 -2.608 1.00 0.00 C ATOM 1107 CG1 VAL A 70 -10.189 1.291 -1.636 1.00 0.00 C ATOM 1108 CG2 VAL A 70 -7.916 2.287 -2.083 1.00 0.00 C ATOM 0 H VAL A 70 -9.338 3.315 -5.024 1.00 0.00 H new ATOM 0 HA VAL A 70 -8.697 0.608 -3.948 1.00 0.00 H new ATOM 0 HB VAL A 70 -9.791 3.105 -2.687 1.00 0.00 H new ATOM 0 HG11 VAL A 70 -10.173 1.760 -0.652 1.00 0.00 H new ATOM 0 HG12 VAL A 70 -11.216 1.243 -1.999 1.00 0.00 H new ATOM 0 HG13 VAL A 70 -9.782 0.282 -1.564 1.00 0.00 H new ATOM 0 HG21 VAL A 70 -7.945 2.736 -1.090 1.00 0.00 H new ATOM 0 HG22 VAL A 70 -7.429 1.313 -2.027 1.00 0.00 H new ATOM 0 HG23 VAL A 70 -7.356 2.934 -2.757 1.00 0.00 H new ATOM 1118 N THR A 71 -10.945 -0.290 -4.298 1.00 0.00 N ATOM 1119 CA THR A 71 -12.216 -0.882 -4.677 1.00 0.00 C ATOM 1120 C THR A 71 -12.521 -2.097 -3.798 1.00 0.00 C ATOM 1121 O THR A 71 -11.691 -2.505 -2.987 1.00 0.00 O ATOM 1122 CB THR A 71 -12.159 -1.211 -6.170 1.00 0.00 C ATOM 1123 OG1 THR A 71 -13.476 -0.931 -6.638 1.00 0.00 O ATOM 1124 CG2 THR A 71 -11.980 -2.707 -6.434 1.00 0.00 C ATOM 0 H THR A 71 -10.263 -0.949 -3.922 1.00 0.00 H new ATOM 0 HA THR A 71 -13.040 -0.187 -4.515 1.00 0.00 H new ATOM 0 HB THR A 71 -11.339 -0.661 -6.631 1.00 0.00 H new ATOM 0 HG1 THR A 71 -13.528 -1.116 -7.599 1.00 0.00 H new ATOM 0 HG21 THR A 71 -11.946 -2.885 -7.509 1.00 0.00 H new ATOM 0 HG22 THR A 71 -11.050 -3.048 -5.980 1.00 0.00 H new ATOM 0 HG23 THR A 71 -12.817 -3.255 -6.002 1.00 0.00 H new ATOM 1132 N SER A 72 -13.713 -2.642 -3.990 1.00 0.00 N ATOM 1133 CA SER A 72 -14.138 -3.802 -3.225 1.00 0.00 C ATOM 1134 C SER A 72 -14.425 -4.973 -4.167 1.00 0.00 C ATOM 1135 O SER A 72 -15.082 -4.803 -5.193 1.00 0.00 O ATOM 1136 CB SER A 72 -15.374 -3.484 -2.382 1.00 0.00 C ATOM 1137 OG SER A 72 -15.706 -2.099 -2.422 1.00 0.00 O ATOM 0 H SER A 72 -14.398 -2.302 -4.665 1.00 0.00 H new ATOM 0 HA SER A 72 -13.331 -4.078 -2.547 1.00 0.00 H new ATOM 0 HB2 SER A 72 -16.219 -4.070 -2.743 1.00 0.00 H new ATOM 0 HB3 SER A 72 -15.196 -3.784 -1.349 1.00 0.00 H new ATOM 0 HG SER A 72 -16.501 -1.937 -1.873 1.00 0.00 H new ATOM 1143 N VAL A 73 -13.918 -6.136 -3.786 1.00 0.00 N ATOM 1144 CA VAL A 73 -14.112 -7.335 -4.583 1.00 0.00 C ATOM 1145 C VAL A 73 -15.597 -7.702 -4.592 1.00 0.00 C ATOM 1146 O VAL A 73 -16.410 -7.031 -3.958 1.00 0.00 O ATOM 1147 CB VAL A 73 -13.221 -8.463 -4.058 1.00 0.00 C ATOM 1148 CG1 VAL A 73 -11.743 -8.077 -4.139 1.00 0.00 C ATOM 1149 CG2 VAL A 73 -13.610 -8.848 -2.629 1.00 0.00 C ATOM 0 H VAL A 73 -13.373 -6.274 -2.935 1.00 0.00 H new ATOM 0 HA VAL A 73 -13.814 -7.158 -5.617 1.00 0.00 H new ATOM 0 HB VAL A 73 -13.374 -9.335 -4.694 1.00 0.00 H new ATOM 0 HG11 VAL A 73 -11.132 -8.896 -3.760 1.00 0.00 H new ATOM 0 HG12 VAL A 73 -11.476 -7.875 -5.176 1.00 0.00 H new ATOM 0 HG13 VAL A 73 -11.567 -7.184 -3.539 1.00 0.00 H new ATOM 0 HG21 VAL A 73 -12.962 -9.652 -2.279 1.00 0.00 H new ATOM 0 HG22 VAL A 73 -13.499 -7.982 -1.976 1.00 0.00 H new ATOM 0 HG23 VAL A 73 -14.647 -9.185 -2.612 1.00 0.00 H new ATOM 1318 N GLU A 85 -12.781 -14.952 1.723 1.00 0.00 N ATOM 1319 CA GLU A 85 -13.153 -14.034 2.786 1.00 0.00 C ATOM 1320 C GLU A 85 -13.277 -12.611 2.238 1.00 0.00 C ATOM 1321 O GLU A 85 -13.312 -12.409 1.025 1.00 0.00 O ATOM 1322 CB GLU A 85 -12.149 -14.093 3.938 1.00 0.00 C ATOM 1323 CG GLU A 85 -12.762 -14.767 5.167 1.00 0.00 C ATOM 1324 CD GLU A 85 -12.249 -14.125 6.458 1.00 0.00 C ATOM 1325 OE1 GLU A 85 -11.065 -14.364 6.778 1.00 0.00 O ATOM 1326 OE2 GLU A 85 -13.053 -13.411 7.095 1.00 0.00 O ATOM 0 HA GLU A 85 -14.124 -14.337 3.179 1.00 0.00 H new ATOM 0 HB2 GLU A 85 -11.261 -14.641 3.623 1.00 0.00 H new ATOM 0 HB3 GLU A 85 -11.826 -13.084 4.195 1.00 0.00 H new ATOM 0 HG2 GLU A 85 -13.848 -14.689 5.125 1.00 0.00 H new ATOM 0 HG3 GLU A 85 -12.518 -15.829 5.163 1.00 0.00 H new ATOM 1333 N ASN A 86 -13.339 -11.660 3.159 1.00 0.00 N ATOM 1334 CA ASN A 86 -13.458 -10.261 2.784 1.00 0.00 C ATOM 1335 C ASN A 86 -12.131 -9.782 2.192 1.00 0.00 C ATOM 1336 O ASN A 86 -11.140 -9.648 2.908 1.00 0.00 O ATOM 1337 CB ASN A 86 -13.775 -9.389 4.000 1.00 0.00 C ATOM 1338 CG ASN A 86 -14.777 -10.083 4.925 1.00 0.00 C ATOM 1339 OD1 ASN A 86 -15.888 -10.413 4.544 1.00 0.00 O ATOM 1340 ND2 ASN A 86 -14.324 -10.285 6.159 1.00 0.00 N ATOM 0 H ASN A 86 -13.309 -11.831 4.164 1.00 0.00 H new ATOM 0 HA ASN A 86 -14.267 -10.174 2.058 1.00 0.00 H new ATOM 0 HB2 ASN A 86 -12.857 -9.174 4.547 1.00 0.00 H new ATOM 0 HB3 ASN A 86 -14.181 -8.432 3.670 1.00 0.00 H new ATOM 0 HD21 ASN A 86 -14.918 -10.741 6.852 1.00 0.00 H new ATOM 0 HD22 ASN A 86 -13.383 -9.984 6.412 1.00 0.00 H new ATOM 1347 N LEU A 87 -12.154 -9.537 0.890 1.00 0.00 N ATOM 1348 CA LEU A 87 -10.965 -9.075 0.194 1.00 0.00 C ATOM 1349 C LEU A 87 -11.289 -7.782 -0.557 1.00 0.00 C ATOM 1350 O LEU A 87 -12.427 -7.317 -0.538 1.00 0.00 O ATOM 1351 CB LEU A 87 -10.405 -10.182 -0.701 1.00 0.00 C ATOM 1352 CG LEU A 87 -11.201 -11.489 -0.730 1.00 0.00 C ATOM 1353 CD1 LEU A 87 -11.102 -12.160 -2.101 1.00 0.00 C ATOM 1354 CD2 LEU A 87 -10.763 -12.423 0.399 1.00 0.00 C ATOM 0 H LEU A 87 -12.977 -9.650 0.299 1.00 0.00 H new ATOM 0 HA LEU A 87 -10.173 -8.841 0.906 1.00 0.00 H new ATOM 0 HB2 LEU A 87 -10.337 -9.799 -1.719 1.00 0.00 H new ATOM 0 HB3 LEU A 87 -9.389 -10.406 -0.376 1.00 0.00 H new ATOM 0 HG LEU A 87 -12.252 -11.253 -0.562 1.00 0.00 H new ATOM 0 HD11 LEU A 87 -11.676 -13.086 -2.095 1.00 0.00 H new ATOM 0 HD12 LEU A 87 -11.501 -11.491 -2.863 1.00 0.00 H new ATOM 0 HD13 LEU A 87 -10.058 -12.382 -2.323 1.00 0.00 H new ATOM 0 HD21 LEU A 87 -11.344 -13.344 0.355 1.00 0.00 H new ATOM 0 HD22 LEU A 87 -9.704 -12.657 0.288 1.00 0.00 H new ATOM 0 HD23 LEU A 87 -10.928 -11.935 1.360 1.00 0.00 H new ATOM 1366 N PHE A 88 -10.267 -7.238 -1.201 1.00 0.00 N ATOM 1367 CA PHE A 88 -10.428 -6.007 -1.957 1.00 0.00 C ATOM 1368 C PHE A 88 -9.308 -5.846 -2.987 1.00 0.00 C ATOM 1369 O PHE A 88 -8.188 -6.304 -2.768 1.00 0.00 O ATOM 1370 CB PHE A 88 -10.354 -4.854 -0.955 1.00 0.00 C ATOM 1371 CG PHE A 88 -9.219 -4.985 0.063 1.00 0.00 C ATOM 1372 CD1 PHE A 88 -7.965 -4.570 -0.261 1.00 0.00 C ATOM 1373 CD2 PHE A 88 -9.464 -5.517 1.290 1.00 0.00 C ATOM 1374 CE1 PHE A 88 -6.911 -4.692 0.684 1.00 0.00 C ATOM 1375 CE2 PHE A 88 -8.411 -5.639 2.234 1.00 0.00 C ATOM 1376 CZ PHE A 88 -7.156 -5.224 1.911 1.00 0.00 C ATOM 0 H PHE A 88 -9.324 -7.627 -1.215 1.00 0.00 H new ATOM 0 HA PHE A 88 -11.378 -6.020 -2.492 1.00 0.00 H new ATOM 0 HB2 PHE A 88 -10.232 -3.919 -1.501 1.00 0.00 H new ATOM 0 HB3 PHE A 88 -11.302 -4.789 -0.421 1.00 0.00 H new ATOM 0 HD1 PHE A 88 -7.770 -4.148 -1.236 1.00 0.00 H new ATOM 0 HD2 PHE A 88 -10.460 -5.847 1.546 1.00 0.00 H new ATOM 0 HE1 PHE A 88 -5.915 -4.362 0.428 1.00 0.00 H new ATOM 0 HE2 PHE A 88 -8.606 -6.061 3.209 1.00 0.00 H new ATOM 0 HZ PHE A 88 -6.355 -5.317 2.629 1.00 0.00 H new ATOM 1386 N GLU A 89 -9.649 -5.192 -4.087 1.00 0.00 N ATOM 1387 CA GLU A 89 -8.686 -4.964 -5.151 1.00 0.00 C ATOM 1388 C GLU A 89 -8.162 -3.528 -5.093 1.00 0.00 C ATOM 1389 O GLU A 89 -8.943 -2.578 -5.065 1.00 0.00 O ATOM 1390 CB GLU A 89 -9.299 -5.269 -6.520 1.00 0.00 C ATOM 1391 CG GLU A 89 -8.298 -4.989 -7.643 1.00 0.00 C ATOM 1392 CD GLU A 89 -9.012 -4.495 -8.903 1.00 0.00 C ATOM 1393 OE1 GLU A 89 -9.736 -3.483 -8.784 1.00 0.00 O ATOM 1394 OE2 GLU A 89 -8.818 -5.140 -9.955 1.00 0.00 O ATOM 0 H GLU A 89 -10.579 -4.813 -4.265 1.00 0.00 H new ATOM 0 HA GLU A 89 -7.846 -5.643 -5.006 1.00 0.00 H new ATOM 0 HB2 GLU A 89 -9.612 -6.313 -6.558 1.00 0.00 H new ATOM 0 HB3 GLU A 89 -10.193 -4.663 -6.665 1.00 0.00 H new ATOM 0 HG2 GLU A 89 -7.576 -4.242 -7.313 1.00 0.00 H new ATOM 0 HG3 GLU A 89 -7.738 -5.896 -7.870 1.00 0.00 H new ATOM 1401 N ILE A 90 -6.842 -3.414 -5.078 1.00 0.00 N ATOM 1402 CA ILE A 90 -6.204 -2.110 -5.024 1.00 0.00 C ATOM 1403 C ILE A 90 -5.329 -1.923 -6.265 1.00 0.00 C ATOM 1404 O ILE A 90 -4.284 -2.560 -6.394 1.00 0.00 O ATOM 1405 CB ILE A 90 -5.446 -1.938 -3.706 1.00 0.00 C ATOM 1406 CG1 ILE A 90 -6.396 -2.035 -2.511 1.00 0.00 C ATOM 1407 CG2 ILE A 90 -4.647 -0.633 -3.699 1.00 0.00 C ATOM 1408 CD1 ILE A 90 -5.618 -2.123 -1.197 1.00 0.00 C ATOM 0 H ILE A 90 -6.197 -4.204 -5.102 1.00 0.00 H new ATOM 0 HA ILE A 90 -6.954 -1.319 -5.040 1.00 0.00 H new ATOM 0 HB ILE A 90 -4.729 -2.754 -3.615 1.00 0.00 H new ATOM 0 HG12 ILE A 90 -7.052 -1.164 -2.492 1.00 0.00 H new ATOM 0 HG13 ILE A 90 -7.034 -2.912 -2.619 1.00 0.00 H new ATOM 0 HG21 ILE A 90 -4.118 -0.535 -2.751 1.00 0.00 H new ATOM 0 HG22 ILE A 90 -3.927 -0.643 -4.517 1.00 0.00 H new ATOM 0 HG23 ILE A 90 -5.326 0.210 -3.824 1.00 0.00 H new ATOM 0 HD11 ILE A 90 -6.318 -2.191 -0.364 1.00 0.00 H new ATOM 0 HD12 ILE A 90 -4.982 -3.008 -1.210 1.00 0.00 H new ATOM 0 HD13 ILE A 90 -5.000 -1.233 -1.080 1.00 0.00 H new ATOM 1420 N ILE A 91 -5.787 -1.047 -7.148 1.00 0.00 N ATOM 1421 CA ILE A 91 -5.059 -0.769 -8.374 1.00 0.00 C ATOM 1422 C ILE A 91 -4.001 0.302 -8.102 1.00 0.00 C ATOM 1423 O ILE A 91 -4.248 1.249 -7.356 1.00 0.00 O ATOM 1424 CB ILE A 91 -6.027 -0.405 -9.501 1.00 0.00 C ATOM 1425 CG1 ILE A 91 -7.182 -1.406 -9.577 1.00 0.00 C ATOM 1426 CG2 ILE A 91 -5.291 -0.276 -10.836 1.00 0.00 C ATOM 1427 CD1 ILE A 91 -8.531 -0.685 -9.622 1.00 0.00 C ATOM 0 H ILE A 91 -6.654 -0.521 -7.038 1.00 0.00 H new ATOM 0 HA ILE A 91 -4.531 -1.660 -8.714 1.00 0.00 H new ATOM 0 HB ILE A 91 -6.460 0.570 -9.277 1.00 0.00 H new ATOM 0 HG12 ILE A 91 -7.069 -2.030 -10.464 1.00 0.00 H new ATOM 0 HG13 ILE A 91 -7.149 -2.070 -8.714 1.00 0.00 H new ATOM 0 HG21 ILE A 91 -6.002 -0.017 -11.620 1.00 0.00 H new ATOM 0 HG22 ILE A 91 -4.534 0.505 -10.760 1.00 0.00 H new ATOM 0 HG23 ILE A 91 -4.811 -1.224 -11.080 1.00 0.00 H new ATOM 0 HD11 ILE A 91 -9.335 -1.420 -9.676 1.00 0.00 H new ATOM 0 HD12 ILE A 91 -8.651 -0.081 -8.723 1.00 0.00 H new ATOM 0 HD13 ILE A 91 -8.570 -0.040 -10.500 1.00 0.00 H new ATOM 1439 N THR A 92 -2.844 0.117 -8.721 1.00 0.00 N ATOM 1440 CA THR A 92 -1.748 1.055 -8.555 1.00 0.00 C ATOM 1441 C THR A 92 -1.633 1.964 -9.781 1.00 0.00 C ATOM 1442 O THR A 92 -2.479 1.919 -10.672 1.00 0.00 O ATOM 1443 CB THR A 92 -0.476 0.252 -8.273 1.00 0.00 C ATOM 1444 OG1 THR A 92 -0.433 -0.709 -9.324 1.00 0.00 O ATOM 1445 CG2 THR A 92 -0.587 -0.591 -7.001 1.00 0.00 C ATOM 0 H THR A 92 -2.642 -0.669 -9.339 1.00 0.00 H new ATOM 0 HA THR A 92 -1.923 1.721 -7.710 1.00 0.00 H new ATOM 0 HB THR A 92 0.371 0.932 -8.185 1.00 0.00 H new ATOM 0 HG1 THR A 92 0.454 -0.698 -9.741 1.00 0.00 H new ATOM 0 HG21 THR A 92 0.341 -1.141 -6.847 1.00 0.00 H new ATOM 0 HG22 THR A 92 -0.769 0.061 -6.147 1.00 0.00 H new ATOM 0 HG23 THR A 92 -1.413 -1.295 -7.102 1.00 0.00 H new ATOM 1453 N ALA A 93 -0.580 2.767 -9.786 1.00 0.00 N ATOM 1454 CA ALA A 93 -0.344 3.685 -10.887 1.00 0.00 C ATOM 1455 C ALA A 93 0.086 2.892 -12.123 1.00 0.00 C ATOM 1456 O ALA A 93 0.044 3.405 -13.240 1.00 0.00 O ATOM 1457 CB ALA A 93 0.698 4.725 -10.471 1.00 0.00 C ATOM 0 H ALA A 93 0.120 2.801 -9.045 1.00 0.00 H new ATOM 0 HA ALA A 93 -1.258 4.222 -11.141 1.00 0.00 H new ATOM 0 HB1 ALA A 93 0.875 5.414 -11.297 1.00 0.00 H new ATOM 0 HB2 ALA A 93 0.333 5.281 -9.607 1.00 0.00 H new ATOM 0 HB3 ALA A 93 1.630 4.223 -10.212 1.00 0.00 H new ATOM 1463 N ASP A 94 0.489 1.653 -11.881 1.00 0.00 N ATOM 1464 CA ASP A 94 0.925 0.784 -12.961 1.00 0.00 C ATOM 1465 C ASP A 94 -0.249 -0.085 -13.416 1.00 0.00 C ATOM 1466 O ASP A 94 -0.113 -0.881 -14.344 1.00 0.00 O ATOM 1467 CB ASP A 94 2.050 -0.145 -12.500 1.00 0.00 C ATOM 1468 CG ASP A 94 3.453 0.465 -12.548 1.00 0.00 C ATOM 1469 OD1 ASP A 94 3.787 1.196 -11.591 1.00 0.00 O ATOM 1470 OD2 ASP A 94 4.159 0.186 -13.541 1.00 0.00 O ATOM 0 H ASP A 94 0.523 1.230 -10.953 1.00 0.00 H new ATOM 0 HA ASP A 94 1.287 1.413 -13.775 1.00 0.00 H new ATOM 0 HB2 ASP A 94 1.843 -0.462 -11.478 1.00 0.00 H new ATOM 0 HB3 ASP A 94 2.038 -1.041 -13.121 1.00 0.00 H new ATOM 1475 N GLU A 95 -1.375 0.096 -12.742 1.00 0.00 N ATOM 1476 CA GLU A 95 -2.571 -0.661 -13.066 1.00 0.00 C ATOM 1477 C GLU A 95 -2.534 -2.030 -12.384 1.00 0.00 C ATOM 1478 O GLU A 95 -3.469 -2.818 -12.513 1.00 0.00 O ATOM 1479 CB GLU A 95 -2.735 -0.808 -14.580 1.00 0.00 C ATOM 1480 CG GLU A 95 -2.382 0.496 -15.298 1.00 0.00 C ATOM 1481 CD GLU A 95 -3.197 0.652 -16.584 1.00 0.00 C ATOM 1482 OE1 GLU A 95 -3.392 -0.381 -17.261 1.00 0.00 O ATOM 1483 OE2 GLU A 95 -3.606 1.800 -16.862 1.00 0.00 O ATOM 0 H GLU A 95 -1.484 0.757 -11.972 1.00 0.00 H new ATOM 0 HA GLU A 95 -3.436 -0.113 -12.692 1.00 0.00 H new ATOM 0 HB2 GLU A 95 -2.095 -1.612 -14.943 1.00 0.00 H new ATOM 0 HB3 GLU A 95 -3.762 -1.089 -14.813 1.00 0.00 H new ATOM 0 HG2 GLU A 95 -2.573 1.342 -14.638 1.00 0.00 H new ATOM 0 HG3 GLU A 95 -1.318 0.509 -15.534 1.00 0.00 H new ATOM 1490 N VAL A 96 -1.442 -2.272 -11.672 1.00 0.00 N ATOM 1491 CA VAL A 96 -1.270 -3.532 -10.970 1.00 0.00 C ATOM 1492 C VAL A 96 -2.425 -3.723 -9.985 1.00 0.00 C ATOM 1493 O VAL A 96 -2.776 -2.803 -9.247 1.00 0.00 O ATOM 1494 CB VAL A 96 0.103 -3.572 -10.296 1.00 0.00 C ATOM 1495 CG1 VAL A 96 0.368 -4.944 -9.673 1.00 0.00 C ATOM 1496 CG2 VAL A 96 1.209 -3.194 -11.283 1.00 0.00 C ATOM 0 H VAL A 96 -0.668 -1.616 -11.567 1.00 0.00 H new ATOM 0 HA VAL A 96 -1.298 -4.367 -11.670 1.00 0.00 H new ATOM 0 HB VAL A 96 0.104 -2.834 -9.493 1.00 0.00 H new ATOM 0 HG11 VAL A 96 1.350 -4.945 -9.201 1.00 0.00 H new ATOM 0 HG12 VAL A 96 -0.395 -5.157 -8.924 1.00 0.00 H new ATOM 0 HG13 VAL A 96 0.338 -5.708 -10.450 1.00 0.00 H new ATOM 0 HG21 VAL A 96 2.175 -3.230 -10.779 1.00 0.00 H new ATOM 0 HG22 VAL A 96 1.208 -3.896 -12.117 1.00 0.00 H new ATOM 0 HG23 VAL A 96 1.033 -2.186 -11.658 1.00 0.00 H new ATOM 1506 N HIS A 97 -2.985 -4.924 -10.005 1.00 0.00 N ATOM 1507 CA HIS A 97 -4.093 -5.248 -9.122 1.00 0.00 C ATOM 1508 C HIS A 97 -3.615 -6.202 -8.026 1.00 0.00 C ATOM 1509 O HIS A 97 -2.814 -7.099 -8.285 1.00 0.00 O ATOM 1510 CB HIS A 97 -5.276 -5.804 -9.918 1.00 0.00 C ATOM 1511 CG HIS A 97 -5.597 -5.022 -11.169 1.00 0.00 C ATOM 1512 ND1 HIS A 97 -6.734 -4.243 -11.295 1.00 0.00 N ATOM 1513 CD2 HIS A 97 -4.919 -4.907 -12.347 1.00 0.00 C ATOM 1514 CE1 HIS A 97 -6.730 -3.689 -12.498 1.00 0.00 C ATOM 1515 NE2 HIS A 97 -5.605 -4.102 -13.149 1.00 0.00 N ATOM 0 H HIS A 97 -2.692 -5.684 -10.619 1.00 0.00 H new ATOM 0 HA HIS A 97 -4.451 -4.341 -8.634 1.00 0.00 H new ATOM 0 HB2 HIS A 97 -5.062 -6.837 -10.193 1.00 0.00 H new ATOM 0 HB3 HIS A 97 -6.157 -5.820 -9.276 1.00 0.00 H new ATOM 0 HD1 HIS A 97 -7.453 -4.117 -10.582 1.00 0.00 H new ATOM 0 HD2 HIS A 97 -3.983 -5.389 -12.587 1.00 0.00 H new ATOM 0 HE1 HIS A 97 -7.485 -3.026 -12.894 1.00 0.00 H new ATOM 1523 N TYR A 98 -4.126 -5.975 -6.825 1.00 0.00 N ATOM 1524 CA TYR A 98 -3.761 -6.803 -5.688 1.00 0.00 C ATOM 1525 C TYR A 98 -4.991 -7.161 -4.853 1.00 0.00 C ATOM 1526 O TYR A 98 -5.812 -6.297 -4.547 1.00 0.00 O ATOM 1527 CB TYR A 98 -2.811 -5.957 -4.838 1.00 0.00 C ATOM 1528 CG TYR A 98 -1.422 -5.773 -5.453 1.00 0.00 C ATOM 1529 CD1 TYR A 98 -0.518 -6.817 -5.441 1.00 0.00 C ATOM 1530 CD2 TYR A 98 -1.072 -4.564 -6.019 1.00 0.00 C ATOM 1531 CE1 TYR A 98 0.789 -6.644 -6.020 1.00 0.00 C ATOM 1532 CE2 TYR A 98 0.235 -4.391 -6.598 1.00 0.00 C ATOM 1533 CZ TYR A 98 1.101 -5.440 -6.570 1.00 0.00 C ATOM 1534 OH TYR A 98 2.336 -5.276 -7.116 1.00 0.00 O ATOM 0 H TYR A 98 -4.790 -5.230 -6.614 1.00 0.00 H new ATOM 0 HA TYR A 98 -3.305 -7.735 -6.023 1.00 0.00 H new ATOM 0 HB2 TYR A 98 -3.259 -4.976 -4.678 1.00 0.00 H new ATOM 0 HB3 TYR A 98 -2.704 -6.423 -3.858 1.00 0.00 H new ATOM 0 HD1 TYR A 98 -0.791 -7.763 -4.997 1.00 0.00 H new ATOM 0 HD2 TYR A 98 -1.779 -3.747 -6.028 1.00 0.00 H new ATOM 0 HE1 TYR A 98 1.505 -7.452 -6.018 1.00 0.00 H new ATOM 0 HE2 TYR A 98 0.521 -3.450 -7.044 1.00 0.00 H new ATOM 0 HH TYR A 98 2.658 -6.135 -7.461 1.00 0.00 H new ATOM 1544 N PHE A 99 -5.082 -8.437 -4.507 1.00 0.00 N ATOM 1545 CA PHE A 99 -6.199 -8.920 -3.713 1.00 0.00 C ATOM 1546 C PHE A 99 -5.738 -9.334 -2.314 1.00 0.00 C ATOM 1547 O PHE A 99 -5.081 -10.361 -2.151 1.00 0.00 O ATOM 1548 CB PHE A 99 -6.763 -10.145 -4.435 1.00 0.00 C ATOM 1549 CG PHE A 99 -7.460 -9.822 -5.758 1.00 0.00 C ATOM 1550 CD1 PHE A 99 -8.789 -9.534 -5.775 1.00 0.00 C ATOM 1551 CD2 PHE A 99 -6.750 -9.823 -6.918 1.00 0.00 C ATOM 1552 CE1 PHE A 99 -9.435 -9.234 -7.003 1.00 0.00 C ATOM 1553 CE2 PHE A 99 -7.396 -9.523 -8.146 1.00 0.00 C ATOM 1554 CZ PHE A 99 -8.725 -9.235 -8.163 1.00 0.00 C ATOM 0 H PHE A 99 -4.400 -9.151 -4.762 1.00 0.00 H new ATOM 0 HA PHE A 99 -6.945 -8.133 -3.602 1.00 0.00 H new ATOM 0 HB2 PHE A 99 -5.951 -10.847 -4.626 1.00 0.00 H new ATOM 0 HB3 PHE A 99 -7.471 -10.648 -3.776 1.00 0.00 H new ATOM 0 HD1 PHE A 99 -9.353 -9.534 -4.854 1.00 0.00 H new ATOM 0 HD2 PHE A 99 -5.695 -10.052 -6.905 1.00 0.00 H new ATOM 0 HE1 PHE A 99 -10.490 -9.005 -7.016 1.00 0.00 H new ATOM 0 HE2 PHE A 99 -6.832 -9.523 -9.067 1.00 0.00 H new ATOM 0 HZ PHE A 99 -9.216 -9.007 -9.097 1.00 0.00 H new ATOM 1564 N LEU A 100 -6.101 -8.513 -1.339 1.00 0.00 N ATOM 1565 CA LEU A 100 -5.733 -8.781 0.041 1.00 0.00 C ATOM 1566 C LEU A 100 -6.986 -9.161 0.833 1.00 0.00 C ATOM 1567 O LEU A 100 -8.019 -8.502 0.721 1.00 0.00 O ATOM 1568 CB LEU A 100 -4.968 -7.595 0.631 1.00 0.00 C ATOM 1569 CG LEU A 100 -3.767 -7.102 -0.178 1.00 0.00 C ATOM 1570 CD1 LEU A 100 -2.959 -8.277 -0.732 1.00 0.00 C ATOM 1571 CD2 LEU A 100 -4.209 -6.139 -1.282 1.00 0.00 C ATOM 0 H LEU A 100 -6.646 -7.662 -1.478 1.00 0.00 H new ATOM 0 HA LEU A 100 -5.051 -9.629 0.096 1.00 0.00 H new ATOM 0 HB2 LEU A 100 -5.663 -6.765 0.754 1.00 0.00 H new ATOM 0 HB3 LEU A 100 -4.621 -7.871 1.627 1.00 0.00 H new ATOM 0 HG LEU A 100 -3.109 -6.546 0.490 1.00 0.00 H new ATOM 0 HD11 LEU A 100 -2.111 -7.898 -1.303 1.00 0.00 H new ATOM 0 HD12 LEU A 100 -2.596 -8.890 0.093 1.00 0.00 H new ATOM 0 HD13 LEU A 100 -3.593 -8.881 -1.381 1.00 0.00 H new ATOM 0 HD21 LEU A 100 -3.337 -5.803 -1.843 1.00 0.00 H new ATOM 0 HD22 LEU A 100 -4.898 -6.649 -1.955 1.00 0.00 H new ATOM 0 HD23 LEU A 100 -4.707 -5.278 -0.836 1.00 0.00 H new ATOM 1583 N GLN A 101 -6.853 -10.221 1.616 1.00 0.00 N ATOM 1584 CA GLN A 101 -7.962 -10.696 2.427 1.00 0.00 C ATOM 1585 C GLN A 101 -7.856 -10.140 3.848 1.00 0.00 C ATOM 1586 O GLN A 101 -6.798 -10.213 4.470 1.00 0.00 O ATOM 1587 CB GLN A 101 -8.016 -12.225 2.440 1.00 0.00 C ATOM 1588 CG GLN A 101 -9.176 -12.726 3.302 1.00 0.00 C ATOM 1589 CD GLN A 101 -8.707 -13.803 4.282 1.00 0.00 C ATOM 1590 OE1 GLN A 101 -8.369 -13.536 5.423 1.00 0.00 O ATOM 1591 NE2 GLN A 101 -8.704 -15.032 3.774 1.00 0.00 N ATOM 0 H GLN A 101 -5.995 -10.765 1.706 1.00 0.00 H new ATOM 0 HA GLN A 101 -8.891 -10.336 1.985 1.00 0.00 H new ATOM 0 HB2 GLN A 101 -8.128 -12.597 1.422 1.00 0.00 H new ATOM 0 HB3 GLN A 101 -7.076 -12.622 2.823 1.00 0.00 H new ATOM 0 HG2 GLN A 101 -9.610 -11.892 3.853 1.00 0.00 H new ATOM 0 HG3 GLN A 101 -9.961 -13.129 2.662 1.00 0.00 H new ATOM 0 HE21 GLN A 101 -8.999 -15.186 2.810 1.00 0.00 H new ATOM 0 HE22 GLN A 101 -8.406 -15.821 4.348 1.00 0.00 H new ATOM 1600 N ALA A 102 -8.968 -9.596 4.320 1.00 0.00 N ATOM 1601 CA ALA A 102 -9.015 -9.027 5.656 1.00 0.00 C ATOM 1602 C ALA A 102 -9.571 -10.067 6.630 1.00 0.00 C ATOM 1603 O ALA A 102 -10.442 -10.858 6.268 1.00 0.00 O ATOM 1604 CB ALA A 102 -9.847 -7.743 5.636 1.00 0.00 C ATOM 0 H ALA A 102 -9.844 -9.537 3.801 1.00 0.00 H new ATOM 0 HA ALA A 102 -8.014 -8.761 5.995 1.00 0.00 H new ATOM 0 HB1 ALA A 102 -9.882 -7.316 6.638 1.00 0.00 H new ATOM 0 HB2 ALA A 102 -9.393 -7.026 4.952 1.00 0.00 H new ATOM 0 HB3 ALA A 102 -10.860 -7.971 5.303 1.00 0.00 H new ATOM 1610 N ALA A 103 -9.046 -10.034 7.846 1.00 0.00 N ATOM 1611 CA ALA A 103 -9.480 -10.964 8.874 1.00 0.00 C ATOM 1612 C ALA A 103 -10.963 -10.733 9.172 1.00 0.00 C ATOM 1613 O ALA A 103 -11.769 -11.658 9.081 1.00 0.00 O ATOM 1614 CB ALA A 103 -8.603 -10.797 10.117 1.00 0.00 C ATOM 0 H ALA A 103 -8.324 -9.377 8.142 1.00 0.00 H new ATOM 0 HA ALA A 103 -9.369 -11.993 8.532 1.00 0.00 H new ATOM 0 HB1 ALA A 103 -8.929 -11.495 10.888 1.00 0.00 H new ATOM 0 HB2 ALA A 103 -7.564 -11.000 9.859 1.00 0.00 H new ATOM 0 HB3 ALA A 103 -8.691 -9.777 10.490 1.00 0.00 H new ATOM 1620 N THR A 104 -11.278 -9.495 9.522 1.00 0.00 N ATOM 1621 CA THR A 104 -12.650 -9.131 9.834 1.00 0.00 C ATOM 1622 C THR A 104 -13.269 -8.345 8.677 1.00 0.00 C ATOM 1623 O THR A 104 -12.556 -7.860 7.799 1.00 0.00 O ATOM 1624 CB THR A 104 -12.646 -8.363 11.157 1.00 0.00 C ATOM 1625 OG1 THR A 104 -11.462 -7.573 11.097 1.00 0.00 O ATOM 1626 CG2 THR A 104 -12.423 -9.277 12.364 1.00 0.00 C ATOM 0 H THR A 104 -10.607 -8.731 9.597 1.00 0.00 H new ATOM 0 HA THR A 104 -13.276 -10.015 9.957 1.00 0.00 H new ATOM 0 HB THR A 104 -13.592 -7.834 11.272 1.00 0.00 H new ATOM 0 HG1 THR A 104 -11.382 -7.041 11.916 1.00 0.00 H new ATOM 0 HG21 THR A 104 -12.429 -8.682 13.277 1.00 0.00 H new ATOM 0 HG22 THR A 104 -13.219 -10.020 12.410 1.00 0.00 H new ATOM 0 HG23 THR A 104 -11.462 -9.781 12.266 1.00 0.00 H new ATOM 1634 N PRO A 105 -14.624 -8.240 8.713 1.00 0.00 N ATOM 1635 CA PRO A 105 -15.348 -7.521 7.679 1.00 0.00 C ATOM 1636 C PRO A 105 -15.192 -6.009 7.851 1.00 0.00 C ATOM 1637 O PRO A 105 -15.412 -5.248 6.910 1.00 0.00 O ATOM 1638 CB PRO A 105 -16.788 -7.989 7.809 1.00 0.00 C ATOM 1639 CG PRO A 105 -16.907 -8.593 9.198 1.00 0.00 C ATOM 1640 CD PRO A 105 -15.501 -8.802 9.737 1.00 0.00 C ATOM 0 HA PRO A 105 -14.966 -7.725 6.679 1.00 0.00 H new ATOM 0 HB2 PRO A 105 -17.482 -7.157 7.684 1.00 0.00 H new ATOM 0 HB3 PRO A 105 -17.030 -8.724 7.042 1.00 0.00 H new ATOM 0 HG2 PRO A 105 -17.473 -7.932 9.854 1.00 0.00 H new ATOM 0 HG3 PRO A 105 -17.445 -9.540 9.158 1.00 0.00 H new ATOM 0 HD2 PRO A 105 -15.365 -8.299 10.694 1.00 0.00 H new ATOM 0 HD3 PRO A 105 -15.293 -9.859 9.900 1.00 0.00 H new ATOM 1648 N LYS A 106 -14.814 -5.619 9.059 1.00 0.00 N ATOM 1649 CA LYS A 106 -14.626 -4.211 9.367 1.00 0.00 C ATOM 1650 C LYS A 106 -13.268 -3.753 8.831 1.00 0.00 C ATOM 1651 O LYS A 106 -13.151 -2.661 8.278 1.00 0.00 O ATOM 1652 CB LYS A 106 -14.812 -3.961 10.864 1.00 0.00 C ATOM 1653 CG LYS A 106 -14.390 -2.538 11.239 1.00 0.00 C ATOM 1654 CD LYS A 106 -14.990 -2.125 12.584 1.00 0.00 C ATOM 1655 CE LYS A 106 -15.640 -0.743 12.493 1.00 0.00 C ATOM 1656 NZ LYS A 106 -14.659 0.314 12.824 1.00 0.00 N ATOM 0 H LYS A 106 -14.633 -6.253 9.837 1.00 0.00 H new ATOM 0 HA LYS A 106 -15.385 -3.608 8.870 1.00 0.00 H new ATOM 0 HB2 LYS A 106 -15.856 -4.118 11.136 1.00 0.00 H new ATOM 0 HB3 LYS A 106 -14.223 -4.681 11.433 1.00 0.00 H new ATOM 0 HG2 LYS A 106 -13.303 -2.478 11.288 1.00 0.00 H new ATOM 0 HG3 LYS A 106 -14.713 -1.843 10.464 1.00 0.00 H new ATOM 0 HD2 LYS A 106 -15.732 -2.860 12.896 1.00 0.00 H new ATOM 0 HD3 LYS A 106 -14.211 -2.115 13.346 1.00 0.00 H new ATOM 0 HE2 LYS A 106 -16.030 -0.584 11.488 1.00 0.00 H new ATOM 0 HE3 LYS A 106 -16.488 -0.688 13.176 1.00 0.00 H new ATOM 0 HZ1 LYS A 106 -15.117 1.246 12.757 1.00 0.00 H new ATOM 0 HZ2 LYS A 106 -14.307 0.170 13.792 1.00 0.00 H new ATOM 0 HZ3 LYS A 106 -13.863 0.271 12.156 1.00 0.00 H new ATOM 1670 N GLU A 107 -12.276 -4.612 9.013 1.00 0.00 N ATOM 1671 CA GLU A 107 -10.931 -4.309 8.555 1.00 0.00 C ATOM 1672 C GLU A 107 -10.934 -4.019 7.052 1.00 0.00 C ATOM 1673 O GLU A 107 -10.468 -2.967 6.619 1.00 0.00 O ATOM 1674 CB GLU A 107 -9.967 -5.450 8.890 1.00 0.00 C ATOM 1675 CG GLU A 107 -8.590 -5.204 8.271 1.00 0.00 C ATOM 1676 CD GLU A 107 -7.475 -5.542 9.263 1.00 0.00 C ATOM 1677 OE1 GLU A 107 -7.206 -6.752 9.424 1.00 0.00 O ATOM 1678 OE2 GLU A 107 -6.917 -4.582 9.838 1.00 0.00 O ATOM 0 H GLU A 107 -12.377 -5.518 9.471 1.00 0.00 H new ATOM 0 HA GLU A 107 -10.583 -3.418 9.077 1.00 0.00 H new ATOM 0 HB2 GLU A 107 -9.872 -5.545 9.972 1.00 0.00 H new ATOM 0 HB3 GLU A 107 -10.372 -6.393 8.522 1.00 0.00 H new ATOM 0 HG2 GLU A 107 -8.478 -5.810 7.372 1.00 0.00 H new ATOM 0 HG3 GLU A 107 -8.506 -4.161 7.965 1.00 0.00 H new ATOM 1685 N ARG A 108 -11.466 -4.971 6.299 1.00 0.00 N ATOM 1686 CA ARG A 108 -11.537 -4.830 4.855 1.00 0.00 C ATOM 1687 C ARG A 108 -11.939 -3.402 4.480 1.00 0.00 C ATOM 1688 O ARG A 108 -11.360 -2.809 3.571 1.00 0.00 O ATOM 1689 CB ARG A 108 -12.546 -5.811 4.255 1.00 0.00 C ATOM 1690 CG ARG A 108 -12.594 -5.686 2.731 1.00 0.00 C ATOM 1691 CD ARG A 108 -14.028 -5.476 2.242 1.00 0.00 C ATOM 1692 NE ARG A 108 -14.285 -4.034 2.028 1.00 0.00 N ATOM 1693 CZ ARG A 108 -15.488 -3.520 1.740 1.00 0.00 C ATOM 1694 NH1 ARG A 108 -16.552 -4.327 1.628 1.00 0.00 N ATOM 1695 NH2 ARG A 108 -15.627 -2.199 1.562 1.00 0.00 N ATOM 0 H ARG A 108 -11.852 -5.843 6.662 1.00 0.00 H new ATOM 0 HA ARG A 108 -10.549 -5.051 4.451 1.00 0.00 H new ATOM 0 HB2 ARG A 108 -12.276 -6.830 4.531 1.00 0.00 H new ATOM 0 HB3 ARG A 108 -13.535 -5.620 4.670 1.00 0.00 H new ATOM 0 HG2 ARG A 108 -11.971 -4.850 2.412 1.00 0.00 H new ATOM 0 HG3 ARG A 108 -12.179 -6.585 2.276 1.00 0.00 H new ATOM 0 HD2 ARG A 108 -14.188 -6.024 1.313 1.00 0.00 H new ATOM 0 HD3 ARG A 108 -14.732 -5.875 2.973 1.00 0.00 H new ATOM 0 HE ARG A 108 -13.497 -3.391 2.105 1.00 0.00 H new ATOM 0 HH11 ARG A 108 -16.446 -5.333 1.762 1.00 0.00 H new ATOM 0 HH12 ARG A 108 -17.468 -3.936 1.409 1.00 0.00 H new ATOM 0 HH21 ARG A 108 -14.817 -1.585 1.646 1.00 0.00 H new ATOM 0 HH22 ARG A 108 -16.543 -1.808 1.343 1.00 0.00 H new ATOM 1709 N THR A 109 -12.928 -2.892 5.198 1.00 0.00 N ATOM 1710 CA THR A 109 -13.414 -1.545 4.952 1.00 0.00 C ATOM 1711 C THR A 109 -12.397 -0.513 5.443 1.00 0.00 C ATOM 1712 O THR A 109 -12.142 0.483 4.767 1.00 0.00 O ATOM 1713 CB THR A 109 -14.786 -1.409 5.615 1.00 0.00 C ATOM 1714 OG1 THR A 109 -15.702 -1.834 4.609 1.00 0.00 O ATOM 1715 CG2 THR A 109 -15.169 0.050 5.874 1.00 0.00 C ATOM 0 H THR A 109 -13.406 -3.387 5.951 1.00 0.00 H new ATOM 0 HA THR A 109 -13.532 -1.356 3.885 1.00 0.00 H new ATOM 0 HB THR A 109 -14.790 -1.959 6.556 1.00 0.00 H new ATOM 0 HG1 THR A 109 -16.617 -1.779 4.956 1.00 0.00 H new ATOM 0 HG21 THR A 109 -16.151 0.090 6.345 1.00 0.00 H new ATOM 0 HG22 THR A 109 -14.431 0.508 6.532 1.00 0.00 H new ATOM 0 HG23 THR A 109 -15.198 0.592 4.929 1.00 0.00 H new ATOM 1723 N GLU A 110 -11.844 -0.786 6.616 1.00 0.00 N ATOM 1724 CA GLU A 110 -10.861 0.107 7.205 1.00 0.00 C ATOM 1725 C GLU A 110 -9.651 0.249 6.280 1.00 0.00 C ATOM 1726 O GLU A 110 -9.325 1.352 5.843 1.00 0.00 O ATOM 1727 CB GLU A 110 -10.436 -0.383 8.591 1.00 0.00 C ATOM 1728 CG GLU A 110 -11.553 -0.169 9.614 1.00 0.00 C ATOM 1729 CD GLU A 110 -10.991 0.347 10.940 1.00 0.00 C ATOM 1730 OE1 GLU A 110 -10.038 -0.290 11.439 1.00 0.00 O ATOM 1731 OE2 GLU A 110 -11.526 1.368 11.425 1.00 0.00 O ATOM 0 H GLU A 110 -12.058 -1.613 7.174 1.00 0.00 H new ATOM 0 HA GLU A 110 -11.318 1.089 7.327 1.00 0.00 H new ATOM 0 HB2 GLU A 110 -10.179 -1.441 8.544 1.00 0.00 H new ATOM 0 HB3 GLU A 110 -9.539 0.149 8.910 1.00 0.00 H new ATOM 0 HG2 GLU A 110 -12.279 0.543 9.221 1.00 0.00 H new ATOM 0 HG3 GLU A 110 -12.083 -1.107 9.780 1.00 0.00 H new ATOM 1738 N TRP A 111 -9.017 -0.882 6.008 1.00 0.00 N ATOM 1739 CA TRP A 111 -7.850 -0.898 5.142 1.00 0.00 C ATOM 1740 C TRP A 111 -8.126 0.034 3.960 1.00 0.00 C ATOM 1741 O TRP A 111 -7.385 0.989 3.732 1.00 0.00 O ATOM 1742 CB TRP A 111 -7.506 -2.325 4.711 1.00 0.00 C ATOM 1743 CG TRP A 111 -6.366 -2.959 5.510 1.00 0.00 C ATOM 1744 CD1 TRP A 111 -6.360 -4.138 6.146 1.00 0.00 C ATOM 1745 CD2 TRP A 111 -5.056 -2.396 5.734 1.00 0.00 C ATOM 1746 NE1 TRP A 111 -5.148 -4.375 6.761 1.00 0.00 N ATOM 1747 CE2 TRP A 111 -4.329 -3.282 6.502 1.00 0.00 C ATOM 1748 CE3 TRP A 111 -4.503 -1.177 5.301 1.00 0.00 C ATOM 1749 CZ2 TRP A 111 -3.010 -3.045 6.905 1.00 0.00 C ATOM 1750 CZ3 TRP A 111 -3.184 -0.955 5.711 1.00 0.00 C ATOM 1751 CH2 TRP A 111 -2.439 -1.837 6.485 1.00 0.00 C ATOM 0 H TRP A 111 -9.290 -1.795 6.372 1.00 0.00 H new ATOM 0 HA TRP A 111 -6.970 -0.535 5.674 1.00 0.00 H new ATOM 0 HB2 TRP A 111 -8.395 -2.948 4.810 1.00 0.00 H new ATOM 0 HB3 TRP A 111 -7.236 -2.320 3.655 1.00 0.00 H new ATOM 0 HD1 TRP A 111 -7.199 -4.818 6.174 1.00 0.00 H new ATOM 0 HE1 TRP A 111 -4.899 -5.201 7.306 1.00 0.00 H new ATOM 0 HE3 TRP A 111 -5.053 -0.469 4.700 1.00 0.00 H new ATOM 0 HZ2 TRP A 111 -2.462 -3.755 7.507 1.00 0.00 H new ATOM 0 HZ3 TRP A 111 -2.711 -0.034 5.405 1.00 0.00 H new ATOM 0 HH2 TRP A 111 -1.424 -1.592 6.761 1.00 0.00 H new ATOM 1762 N ILE A 112 -9.194 -0.277 3.240 1.00 0.00 N ATOM 1763 CA ILE A 112 -9.577 0.521 2.088 1.00 0.00 C ATOM 1764 C ILE A 112 -9.439 2.005 2.431 1.00 0.00 C ATOM 1765 O ILE A 112 -8.582 2.696 1.882 1.00 0.00 O ATOM 1766 CB ILE A 112 -10.975 0.129 1.605 1.00 0.00 C ATOM 1767 CG1 ILE A 112 -10.908 -1.040 0.621 1.00 0.00 C ATOM 1768 CG2 ILE A 112 -11.709 1.334 1.014 1.00 0.00 C ATOM 1769 CD1 ILE A 112 -12.074 -2.008 0.838 1.00 0.00 C ATOM 0 H ILE A 112 -9.806 -1.070 3.432 1.00 0.00 H new ATOM 0 HA ILE A 112 -8.908 0.324 1.250 1.00 0.00 H new ATOM 0 HB ILE A 112 -11.551 -0.208 2.467 1.00 0.00 H new ATOM 0 HG12 ILE A 112 -10.930 -0.661 -0.401 1.00 0.00 H new ATOM 0 HG13 ILE A 112 -9.963 -1.570 0.744 1.00 0.00 H new ATOM 0 HG21 ILE A 112 -12.700 1.028 0.678 1.00 0.00 H new ATOM 0 HG22 ILE A 112 -11.807 2.109 1.774 1.00 0.00 H new ATOM 0 HG23 ILE A 112 -11.144 1.725 0.168 1.00 0.00 H new ATOM 0 HD11 ILE A 112 -12.002 -2.830 0.125 1.00 0.00 H new ATOM 0 HD12 ILE A 112 -12.035 -2.403 1.853 1.00 0.00 H new ATOM 0 HD13 ILE A 112 -13.017 -1.481 0.690 1.00 0.00 H new ATOM 1781 N LYS A 113 -10.294 2.452 3.339 1.00 0.00 N ATOM 1782 CA LYS A 113 -10.278 3.842 3.762 1.00 0.00 C ATOM 1783 C LYS A 113 -8.872 4.208 4.241 1.00 0.00 C ATOM 1784 O LYS A 113 -8.491 5.378 4.223 1.00 0.00 O ATOM 1785 CB LYS A 113 -11.369 4.097 4.804 1.00 0.00 C ATOM 1786 CG LYS A 113 -12.686 3.436 4.393 1.00 0.00 C ATOM 1787 CD LYS A 113 -13.836 4.445 4.415 1.00 0.00 C ATOM 1788 CE LYS A 113 -14.726 4.234 5.642 1.00 0.00 C ATOM 1789 NZ LYS A 113 -14.997 5.526 6.313 1.00 0.00 N ATOM 0 H LYS A 113 -11.002 1.876 3.794 1.00 0.00 H new ATOM 0 HA LYS A 113 -10.511 4.499 2.924 1.00 0.00 H new ATOM 0 HB2 LYS A 113 -11.050 3.710 5.772 1.00 0.00 H new ATOM 0 HB3 LYS A 113 -11.519 5.170 4.924 1.00 0.00 H new ATOM 0 HG2 LYS A 113 -12.588 3.013 3.393 1.00 0.00 H new ATOM 0 HG3 LYS A 113 -12.909 2.610 5.069 1.00 0.00 H new ATOM 0 HD2 LYS A 113 -13.435 5.459 4.422 1.00 0.00 H new ATOM 0 HD3 LYS A 113 -14.431 4.344 3.508 1.00 0.00 H new ATOM 0 HE2 LYS A 113 -15.665 3.769 5.342 1.00 0.00 H new ATOM 0 HE3 LYS A 113 -14.240 3.551 6.338 1.00 0.00 H new ATOM 0 HZ1 LYS A 113 -15.602 5.366 7.144 1.00 0.00 H new ATOM 0 HZ2 LYS A 113 -14.099 5.955 6.616 1.00 0.00 H new ATOM 0 HZ3 LYS A 113 -15.480 6.166 5.651 1.00 0.00 H new ATOM 1803 N ALA A 114 -8.139 3.187 4.659 1.00 0.00 N ATOM 1804 CA ALA A 114 -6.783 3.387 5.142 1.00 0.00 C ATOM 1805 C ALA A 114 -5.883 3.785 3.971 1.00 0.00 C ATOM 1806 O ALA A 114 -5.298 4.867 3.973 1.00 0.00 O ATOM 1807 CB ALA A 114 -6.299 2.117 5.845 1.00 0.00 C ATOM 0 H ALA A 114 -8.458 2.218 4.673 1.00 0.00 H new ATOM 0 HA ALA A 114 -6.751 4.196 5.872 1.00 0.00 H new ATOM 0 HB1 ALA A 114 -5.282 2.267 6.207 1.00 0.00 H new ATOM 0 HB2 ALA A 114 -6.955 1.895 6.687 1.00 0.00 H new ATOM 0 HB3 ALA A 114 -6.315 1.284 5.142 1.00 0.00 H new ATOM 1813 N ILE A 115 -5.799 2.889 2.999 1.00 0.00 N ATOM 1814 CA ILE A 115 -4.980 3.133 1.824 1.00 0.00 C ATOM 1815 C ILE A 115 -5.422 4.439 1.162 1.00 0.00 C ATOM 1816 O ILE A 115 -4.595 5.186 0.640 1.00 0.00 O ATOM 1817 CB ILE A 115 -5.015 1.925 0.886 1.00 0.00 C ATOM 1818 CG1 ILE A 115 -4.127 0.795 1.412 1.00 0.00 C ATOM 1819 CG2 ILE A 115 -4.643 2.329 -0.542 1.00 0.00 C ATOM 1820 CD1 ILE A 115 -4.971 -0.385 1.897 1.00 0.00 C ATOM 0 H ILE A 115 -6.285 1.992 3.001 1.00 0.00 H new ATOM 0 HA ILE A 115 -3.935 3.257 2.107 1.00 0.00 H new ATOM 0 HB ILE A 115 -6.036 1.545 0.858 1.00 0.00 H new ATOM 0 HG12 ILE A 115 -3.450 0.463 0.625 1.00 0.00 H new ATOM 0 HG13 ILE A 115 -3.508 1.165 2.230 1.00 0.00 H new ATOM 0 HG21 ILE A 115 -4.676 1.452 -1.188 1.00 0.00 H new ATOM 0 HG22 ILE A 115 -5.351 3.074 -0.905 1.00 0.00 H new ATOM 0 HG23 ILE A 115 -3.637 2.749 -0.551 1.00 0.00 H new ATOM 0 HD11 ILE A 115 -4.315 -1.174 2.266 1.00 0.00 H new ATOM 0 HD12 ILE A 115 -5.629 -0.055 2.701 1.00 0.00 H new ATOM 0 HD13 ILE A 115 -5.570 -0.768 1.071 1.00 0.00 H new ATOM 1832 N GLN A 116 -6.725 4.675 1.204 1.00 0.00 N ATOM 1833 CA GLN A 116 -7.287 5.878 0.614 1.00 0.00 C ATOM 1834 C GLN A 116 -6.758 7.120 1.335 1.00 0.00 C ATOM 1835 O GLN A 116 -6.253 8.044 0.699 1.00 0.00 O ATOM 1836 CB GLN A 116 -8.816 5.839 0.640 1.00 0.00 C ATOM 1837 CG GLN A 116 -9.345 4.594 -0.075 1.00 0.00 C ATOM 1838 CD GLN A 116 -10.283 4.976 -1.221 1.00 0.00 C ATOM 1839 OE1 GLN A 116 -10.032 5.895 -1.983 1.00 0.00 O ATOM 1840 NE2 GLN A 116 -11.375 4.221 -1.301 1.00 0.00 N ATOM 0 H GLN A 116 -7.408 4.053 1.638 1.00 0.00 H new ATOM 0 HA GLN A 116 -6.975 5.927 -0.429 1.00 0.00 H new ATOM 0 HB2 GLN A 116 -9.166 5.846 1.672 1.00 0.00 H new ATOM 0 HB3 GLN A 116 -9.214 6.734 0.162 1.00 0.00 H new ATOM 0 HG2 GLN A 116 -8.510 4.011 -0.463 1.00 0.00 H new ATOM 0 HG3 GLN A 116 -9.874 3.959 0.636 1.00 0.00 H new ATOM 0 HE21 GLN A 116 -11.524 3.467 -0.630 1.00 0.00 H new ATOM 0 HE22 GLN A 116 -12.063 4.396 -2.033 1.00 0.00 H new ATOM 1849 N MET A 117 -6.892 7.101 2.653 1.00 0.00 N ATOM 1850 CA MET A 117 -6.435 8.214 3.468 1.00 0.00 C ATOM 1851 C MET A 117 -5.026 8.650 3.059 1.00 0.00 C ATOM 1852 O MET A 117 -4.738 9.843 2.987 1.00 0.00 O ATOM 1853 CB MET A 117 -6.434 7.802 4.941 1.00 0.00 C ATOM 1854 CG MET A 117 -5.015 7.817 5.515 1.00 0.00 C ATOM 1855 SD MET A 117 -5.061 7.479 7.267 1.00 0.00 S ATOM 1856 CE MET A 117 -5.705 5.815 7.245 1.00 0.00 C ATOM 0 H MET A 117 -7.311 6.332 3.177 1.00 0.00 H new ATOM 0 HA MET A 117 -7.114 9.053 3.317 1.00 0.00 H new ATOM 0 HB2 MET A 117 -7.068 8.480 5.512 1.00 0.00 H new ATOM 0 HB3 MET A 117 -6.861 6.804 5.043 1.00 0.00 H new ATOM 0 HG2 MET A 117 -4.401 7.072 5.009 1.00 0.00 H new ATOM 0 HG3 MET A 117 -4.552 8.787 5.336 1.00 0.00 H new ATOM 0 HE1 MET A 117 -5.583 5.365 8.230 1.00 0.00 H new ATOM 0 HE2 MET A 117 -6.763 5.838 6.985 1.00 0.00 H new ATOM 0 HE3 MET A 117 -5.162 5.225 6.507 1.00 0.00 H new ATOM 1866 N ALA A 118 -4.186 7.658 2.802 1.00 0.00 N ATOM 1867 CA ALA A 118 -2.814 7.924 2.402 1.00 0.00 C ATOM 1868 C ALA A 118 -2.796 8.409 0.951 1.00 0.00 C ATOM 1869 O ALA A 118 -2.380 9.534 0.674 1.00 0.00 O ATOM 1870 CB ALA A 118 -1.969 6.665 2.607 1.00 0.00 C ATOM 0 H ALA A 118 -4.429 6.669 2.863 1.00 0.00 H new ATOM 0 HA ALA A 118 -2.380 8.711 3.018 1.00 0.00 H new ATOM 0 HB1 ALA A 118 -0.940 6.864 2.307 1.00 0.00 H new ATOM 0 HB2 ALA A 118 -1.991 6.379 3.659 1.00 0.00 H new ATOM 0 HB3 ALA A 118 -2.373 5.853 2.002 1.00 0.00 H new ATOM 1876 N SER A 119 -3.251 7.538 0.063 1.00 0.00 N ATOM 1877 CA SER A 119 -3.292 7.863 -1.352 1.00 0.00 C ATOM 1878 C SER A 119 -3.925 9.241 -1.554 1.00 0.00 C ATOM 1879 O SER A 119 -3.599 9.944 -2.510 1.00 0.00 O ATOM 1880 CB SER A 119 -4.065 6.803 -2.139 1.00 0.00 C ATOM 1881 OG SER A 119 -5.437 6.752 -1.758 1.00 0.00 O ATOM 0 H SER A 119 -3.595 6.606 0.296 1.00 0.00 H new ATOM 0 HA SER A 119 -2.269 7.881 -1.728 1.00 0.00 H new ATOM 0 HB2 SER A 119 -3.992 7.018 -3.205 1.00 0.00 H new ATOM 0 HB3 SER A 119 -3.607 5.827 -1.979 1.00 0.00 H new ATOM 0 HG SER A 119 -5.554 7.201 -0.895 1.00 0.00 H new ATOM 1887 N ARG A 120 -4.818 9.587 -0.638 1.00 0.00 N ATOM 1888 CA ARG A 120 -5.499 10.868 -0.704 1.00 0.00 C ATOM 1889 C ARG A 120 -4.484 12.012 -0.661 1.00 0.00 C ATOM 1890 O ARG A 120 -4.713 13.072 -1.241 1.00 0.00 O ATOM 1891 CB ARG A 120 -6.486 11.027 0.455 1.00 0.00 C ATOM 1892 CG ARG A 120 -7.836 10.393 0.116 1.00 0.00 C ATOM 1893 CD ARG A 120 -8.602 11.243 -0.900 1.00 0.00 C ATOM 1894 NE ARG A 120 -9.943 10.663 -1.137 1.00 0.00 N ATOM 1895 CZ ARG A 120 -10.954 10.724 -0.260 1.00 0.00 C ATOM 1896 NH1 ARG A 120 -10.783 11.341 0.917 1.00 0.00 N ATOM 1897 NH2 ARG A 120 -12.136 10.170 -0.561 1.00 0.00 N ATOM 0 H ARG A 120 -5.085 9.002 0.154 1.00 0.00 H new ATOM 0 HA ARG A 120 -6.050 10.902 -1.644 1.00 0.00 H new ATOM 0 HB2 ARG A 120 -6.077 10.562 1.352 1.00 0.00 H new ATOM 0 HB3 ARG A 120 -6.623 12.085 0.678 1.00 0.00 H new ATOM 0 HG2 ARG A 120 -7.681 9.392 -0.286 1.00 0.00 H new ATOM 0 HG3 ARG A 120 -8.429 10.284 1.024 1.00 0.00 H new ATOM 0 HD2 ARG A 120 -8.698 12.265 -0.533 1.00 0.00 H new ATOM 0 HD3 ARG A 120 -8.047 11.292 -1.837 1.00 0.00 H new ATOM 0 HE ARG A 120 -10.108 10.187 -2.024 1.00 0.00 H new ATOM 0 HH11 ARG A 120 -9.883 11.764 1.145 1.00 0.00 H new ATOM 0 HH12 ARG A 120 -11.552 11.388 1.585 1.00 0.00 H new ATOM 0 HH21 ARG A 120 -12.266 9.702 -1.458 1.00 0.00 H new ATOM 0 HH22 ARG A 120 -12.906 10.216 0.107 1.00 0.00 H new