USER MOD reduce.3.24.130724 H: found=0, std=0, add=705, rem=0, adj=16 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 85:sc= 0.478 USER MOD Set 1.2: A 64 HIS : no HD1:sc= -11.8! C(o=-11!,f=-12!) USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 GLN : amide:sc= -5.11! C(o=-5.1!,f=-14!) USER MOD Single : A 23 CYS SG : rot 180:sc= 0.0803 USER MOD Single : A 26 LYS NZ :NH3+ 156:sc= 0.0416 (180deg=0) USER MOD Single : A 27 GLN : amide:sc= -0.905 K(o=-0.91,f=-4.8!) USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 LYS NZ :NH3+ -176:sc= -1 (180deg=-1.17) USER MOD Single : A 49 HIS : no HD1:sc= -6.44! C(o=-6.4!,f=-7.3!) USER MOD Single : A 50 TYR OH : rot 180:sc= -0.116 USER MOD Single : A 51 TYR OH : rot 180:sc= 0 USER MOD Single : A 68 CYS SG : rot 130:sc= -2.75 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= -0.192 X(o=-0.19,f=-0.11) USER MOD Single : A 92 THR OG1 : rot 130:sc= -1.22 USER MOD Single : A 97 HIS : no HD1:sc= -4.55! C(o=-4.6!,f=-7.8!) USER MOD Single : A 98 TYR OH : rot 180:sc= -0.185 USER MOD Single : A 101 GLN : amide:sc= -2.08! C(o=-2.1!,f=-2!) USER MOD Single : A 104 THR OG1 : rot 180:sc= 0.0147 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 :FLIP amide:sc= -1.5 F(o=-2.1,f=-1.5) USER MOD Single : A 117 MET CE :methyl 162:sc= -3.13! (180deg=-3.55!) USER MOD Single : A 119 SER OG : rot -25:sc= -0.816 USER MOD ----------------------------------------------------------------- ATOM 223 N VAL A 17 4.837 8.854 7.895 1.00 0.00 N ATOM 224 CA VAL A 17 4.457 8.073 9.060 1.00 0.00 C ATOM 225 C VAL A 17 3.478 6.976 8.635 1.00 0.00 C ATOM 226 O VAL A 17 2.920 7.027 7.540 1.00 0.00 O ATOM 227 CB VAL A 17 3.891 8.992 10.145 1.00 0.00 C ATOM 228 CG1 VAL A 17 2.534 9.561 9.728 1.00 0.00 C ATOM 229 CG2 VAL A 17 3.791 8.260 11.485 1.00 0.00 C ATOM 0 HA VAL A 17 5.329 7.582 9.492 1.00 0.00 H new ATOM 0 HB VAL A 17 4.580 9.827 10.270 1.00 0.00 H new ATOM 0 HG11 VAL A 17 2.154 10.211 10.517 1.00 0.00 H new ATOM 0 HG12 VAL A 17 2.647 10.135 8.808 1.00 0.00 H new ATOM 0 HG13 VAL A 17 1.832 8.744 9.562 1.00 0.00 H new ATOM 0 HG21 VAL A 17 3.386 8.935 12.239 1.00 0.00 H new ATOM 0 HG22 VAL A 17 3.134 7.397 11.380 1.00 0.00 H new ATOM 0 HG23 VAL A 17 4.782 7.926 11.792 1.00 0.00 H new ATOM 239 N ILE A 18 3.299 6.010 9.524 1.00 0.00 N ATOM 240 CA ILE A 18 2.397 4.903 9.255 1.00 0.00 C ATOM 241 C ILE A 18 0.984 5.282 9.701 1.00 0.00 C ATOM 242 O ILE A 18 0.800 6.253 10.435 1.00 0.00 O ATOM 243 CB ILE A 18 2.921 3.617 9.898 1.00 0.00 C ATOM 244 CG1 ILE A 18 4.071 3.025 9.081 1.00 0.00 C ATOM 245 CG2 ILE A 18 1.789 2.610 10.109 1.00 0.00 C ATOM 246 CD1 ILE A 18 5.099 2.349 9.991 1.00 0.00 C ATOM 0 H ILE A 18 3.763 5.971 10.431 1.00 0.00 H new ATOM 0 HA ILE A 18 2.350 4.701 8.185 1.00 0.00 H new ATOM 0 HB ILE A 18 3.320 3.864 10.882 1.00 0.00 H new ATOM 0 HG12 ILE A 18 3.679 2.300 8.367 1.00 0.00 H new ATOM 0 HG13 ILE A 18 4.554 3.813 8.503 1.00 0.00 H new ATOM 0 HG21 ILE A 18 2.188 1.705 10.567 1.00 0.00 H new ATOM 0 HG22 ILE A 18 1.033 3.045 10.763 1.00 0.00 H new ATOM 0 HG23 ILE A 18 1.339 2.362 9.148 1.00 0.00 H new ATOM 0 HD11 ILE A 18 5.906 1.937 9.385 1.00 0.00 H new ATOM 0 HD12 ILE A 18 5.506 3.082 10.687 1.00 0.00 H new ATOM 0 HD13 ILE A 18 4.618 1.546 10.550 1.00 0.00 H new ATOM 258 N ILE A 19 0.021 4.498 9.240 1.00 0.00 N ATOM 259 CA ILE A 19 -1.370 4.739 9.582 1.00 0.00 C ATOM 260 C ILE A 19 -2.041 3.410 9.936 1.00 0.00 C ATOM 261 O ILE A 19 -2.796 3.331 10.904 1.00 0.00 O ATOM 262 CB ILE A 19 -2.073 5.503 8.459 1.00 0.00 C ATOM 263 CG1 ILE A 19 -1.651 4.974 7.087 1.00 0.00 C ATOM 264 CG2 ILE A 19 -1.838 7.009 8.590 1.00 0.00 C ATOM 265 CD1 ILE A 19 -0.438 5.740 6.554 1.00 0.00 C ATOM 0 H ILE A 19 0.177 3.694 8.632 1.00 0.00 H new ATOM 0 HA ILE A 19 -1.441 5.377 10.463 1.00 0.00 H new ATOM 0 HB ILE A 19 -3.146 5.335 8.552 1.00 0.00 H new ATOM 0 HG12 ILE A 19 -1.412 3.913 7.160 1.00 0.00 H new ATOM 0 HG13 ILE A 19 -2.481 5.067 6.386 1.00 0.00 H new ATOM 0 HG21 ILE A 19 -2.349 7.529 7.779 1.00 0.00 H new ATOM 0 HG22 ILE A 19 -2.229 7.356 9.547 1.00 0.00 H new ATOM 0 HG23 ILE A 19 -0.769 7.216 8.538 1.00 0.00 H new ATOM 0 HD11 ILE A 19 -0.158 5.344 5.578 1.00 0.00 H new ATOM 0 HD12 ILE A 19 -0.688 6.797 6.459 1.00 0.00 H new ATOM 0 HD13 ILE A 19 0.397 5.625 7.245 1.00 0.00 H new ATOM 277 N LYS A 20 -1.742 2.400 9.133 1.00 0.00 N ATOM 278 CA LYS A 20 -2.308 1.079 9.349 1.00 0.00 C ATOM 279 C LYS A 20 -1.217 0.024 9.152 1.00 0.00 C ATOM 280 O LYS A 20 -0.311 0.208 8.341 1.00 0.00 O ATOM 281 CB LYS A 20 -3.535 0.869 8.460 1.00 0.00 C ATOM 282 CG LYS A 20 -4.356 -0.331 8.934 1.00 0.00 C ATOM 283 CD LYS A 20 -5.801 0.075 9.230 1.00 0.00 C ATOM 284 CE LYS A 20 -6.663 -1.151 9.539 1.00 0.00 C ATOM 285 NZ LYS A 20 -7.219 -1.061 10.908 1.00 0.00 N ATOM 0 H LYS A 20 -1.115 2.469 8.331 1.00 0.00 H new ATOM 0 HA LYS A 20 -2.666 0.981 10.374 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -4.155 1.766 8.472 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -3.219 0.713 7.429 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -4.342 -1.109 8.171 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -3.903 -0.755 9.830 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -5.823 0.762 10.076 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -6.215 0.609 8.375 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -7.474 -1.225 8.815 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -6.065 -2.057 9.442 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -7.801 -1.900 11.102 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -6.441 -1.013 11.596 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -7.806 -0.206 10.989 1.00 0.00 H new ATOM 299 N GLN A 21 -1.342 -1.058 9.906 1.00 0.00 N ATOM 300 CA GLN A 21 -0.378 -2.142 9.824 1.00 0.00 C ATOM 301 C GLN A 21 -1.028 -3.462 10.244 1.00 0.00 C ATOM 302 O GLN A 21 -1.910 -3.479 11.101 1.00 0.00 O ATOM 303 CB GLN A 21 0.857 -1.844 10.676 1.00 0.00 C ATOM 304 CG GLN A 21 1.711 -0.747 10.037 1.00 0.00 C ATOM 305 CD GLN A 21 2.993 -0.514 10.839 1.00 0.00 C ATOM 306 OE1 GLN A 21 4.099 -0.704 10.360 1.00 0.00 O ATOM 307 NE2 GLN A 21 2.784 -0.092 12.083 1.00 0.00 N ATOM 0 H GLN A 21 -2.096 -1.207 10.576 1.00 0.00 H new ATOM 0 HA GLN A 21 -0.050 -2.233 8.788 1.00 0.00 H new ATOM 0 HB2 GLN A 21 0.548 -1.535 11.675 1.00 0.00 H new ATOM 0 HB3 GLN A 21 1.451 -2.751 10.792 1.00 0.00 H new ATOM 0 HG2 GLN A 21 1.963 -1.027 9.014 1.00 0.00 H new ATOM 0 HG3 GLN A 21 1.139 0.179 9.982 1.00 0.00 H new ATOM 0 HE21 GLN A 21 1.832 0.047 12.421 1.00 0.00 H new ATOM 0 HE22 GLN A 21 3.576 0.093 12.699 1.00 0.00 H new ATOM 316 N GLY A 22 -0.567 -4.537 9.620 1.00 0.00 N ATOM 317 CA GLY A 22 -1.092 -5.858 9.919 1.00 0.00 C ATOM 318 C GLY A 22 -0.663 -6.872 8.856 1.00 0.00 C ATOM 319 O GLY A 22 0.211 -6.586 8.038 1.00 0.00 O ATOM 0 H GLY A 22 0.164 -4.519 8.909 1.00 0.00 H new ATOM 0 HA2 GLY A 22 -0.738 -6.181 10.898 1.00 0.00 H new ATOM 0 HA3 GLY A 22 -2.180 -5.818 9.970 1.00 0.00 H new ATOM 323 N CYS A 23 -1.296 -8.034 8.902 1.00 0.00 N ATOM 324 CA CYS A 23 -0.991 -9.092 7.953 1.00 0.00 C ATOM 325 C CYS A 23 -2.207 -9.289 7.046 1.00 0.00 C ATOM 326 O CYS A 23 -3.346 -9.239 7.509 1.00 0.00 O ATOM 327 CB CYS A 23 -0.590 -10.388 8.661 1.00 0.00 C ATOM 328 SG CYS A 23 -1.734 -10.723 10.049 1.00 0.00 S ATOM 0 H CYS A 23 -2.020 -8.267 9.582 1.00 0.00 H new ATOM 0 HA CYS A 23 -0.131 -8.805 7.348 1.00 0.00 H new ATOM 0 HB2 CYS A 23 -0.609 -11.218 7.955 1.00 0.00 H new ATOM 0 HB3 CYS A 23 0.432 -10.308 9.032 1.00 0.00 H new ATOM 0 HG CYS A 23 -1.386 -11.826 10.642 1.00 0.00 H new ATOM 334 N LEU A 24 -1.924 -9.509 5.771 1.00 0.00 N ATOM 335 CA LEU A 24 -2.981 -9.715 4.795 1.00 0.00 C ATOM 336 C LEU A 24 -2.601 -10.877 3.875 1.00 0.00 C ATOM 337 O LEU A 24 -1.492 -11.403 3.959 1.00 0.00 O ATOM 338 CB LEU A 24 -3.281 -8.413 4.048 1.00 0.00 C ATOM 339 CG LEU A 24 -3.839 -7.268 4.895 1.00 0.00 C ATOM 340 CD1 LEU A 24 -3.997 -5.995 4.061 1.00 0.00 C ATOM 341 CD2 LEU A 24 -5.148 -7.675 5.574 1.00 0.00 C ATOM 0 H LEU A 24 -0.978 -9.549 5.391 1.00 0.00 H new ATOM 0 HA LEU A 24 -3.910 -9.992 5.293 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -2.363 -8.071 3.570 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -3.993 -8.630 3.252 1.00 0.00 H new ATOM 0 HG LEU A 24 -3.122 -7.048 5.686 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -4.395 -5.197 4.687 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -3.026 -5.696 3.666 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -4.682 -6.184 3.235 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -5.523 -6.843 6.170 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -5.885 -7.939 4.815 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -4.970 -8.534 6.222 1.00 0.00 H new ATOM 353 N LEU A 25 -3.543 -11.245 3.019 1.00 0.00 N ATOM 354 CA LEU A 25 -3.320 -12.335 2.085 1.00 0.00 C ATOM 355 C LEU A 25 -3.220 -11.773 0.665 1.00 0.00 C ATOM 356 O LEU A 25 -4.237 -11.495 0.031 1.00 0.00 O ATOM 357 CB LEU A 25 -4.400 -13.407 2.246 1.00 0.00 C ATOM 358 CG LEU A 25 -4.608 -13.941 3.665 1.00 0.00 C ATOM 359 CD1 LEU A 25 -3.386 -14.731 4.139 1.00 0.00 C ATOM 360 CD2 LEU A 25 -4.967 -12.809 4.630 1.00 0.00 C ATOM 0 H LEU A 25 -4.462 -10.808 2.953 1.00 0.00 H new ATOM 0 HA LEU A 25 -2.374 -12.832 2.299 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -5.346 -12.998 1.891 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -4.151 -14.246 1.596 1.00 0.00 H new ATOM 0 HG LEU A 25 -5.452 -14.631 3.649 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -3.560 -15.099 5.150 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -3.216 -15.575 3.470 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -2.510 -14.083 4.135 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -5.109 -13.216 5.631 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -4.160 -12.076 4.647 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -5.887 -12.328 4.300 1.00 0.00 H new ATOM 372 N LYS A 26 -1.986 -11.622 0.208 1.00 0.00 N ATOM 373 CA LYS A 26 -1.740 -11.098 -1.124 1.00 0.00 C ATOM 374 C LYS A 26 -1.774 -12.247 -2.134 1.00 0.00 C ATOM 375 O LYS A 26 -0.982 -13.183 -2.041 1.00 0.00 O ATOM 376 CB LYS A 26 -0.438 -10.294 -1.152 1.00 0.00 C ATOM 377 CG LYS A 26 -0.231 -9.633 -2.516 1.00 0.00 C ATOM 378 CD LYS A 26 1.238 -9.263 -2.728 1.00 0.00 C ATOM 379 CE LYS A 26 1.371 -8.052 -3.654 1.00 0.00 C ATOM 380 NZ LYS A 26 2.712 -8.022 -4.280 1.00 0.00 N ATOM 0 H LYS A 26 -1.145 -11.854 0.737 1.00 0.00 H new ATOM 0 HA LYS A 26 -2.526 -10.399 -1.409 1.00 0.00 H new ATOM 0 HB2 LYS A 26 -0.461 -9.531 -0.374 1.00 0.00 H new ATOM 0 HB3 LYS A 26 0.404 -10.950 -0.930 1.00 0.00 H new ATOM 0 HG2 LYS A 26 -0.557 -10.310 -3.306 1.00 0.00 H new ATOM 0 HG3 LYS A 26 -0.849 -8.738 -2.588 1.00 0.00 H new ATOM 0 HD2 LYS A 26 1.704 -9.043 -1.767 1.00 0.00 H new ATOM 0 HD3 LYS A 26 1.772 -10.112 -3.155 1.00 0.00 H new ATOM 0 HE2 LYS A 26 0.603 -8.092 -4.427 1.00 0.00 H new ATOM 0 HE3 LYS A 26 1.207 -7.135 -3.089 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 2.669 -7.483 -5.168 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 3.387 -7.568 -3.632 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 3.024 -8.994 -4.480 1.00 0.00 H new ATOM 394 N GLN A 27 -2.700 -12.137 -3.075 1.00 0.00 N ATOM 395 CA GLN A 27 -2.848 -13.156 -4.101 1.00 0.00 C ATOM 396 C GLN A 27 -1.863 -12.904 -5.245 1.00 0.00 C ATOM 397 O GLN A 27 -1.145 -13.811 -5.661 1.00 0.00 O ATOM 398 CB GLN A 27 -4.287 -13.208 -4.618 1.00 0.00 C ATOM 399 CG GLN A 27 -5.067 -14.345 -3.956 1.00 0.00 C ATOM 400 CD GLN A 27 -4.593 -15.706 -4.469 1.00 0.00 C ATOM 401 OE1 GLN A 27 -3.436 -15.906 -4.799 1.00 0.00 O ATOM 402 NE2 GLN A 27 -5.550 -16.629 -4.518 1.00 0.00 N ATOM 0 H GLN A 27 -3.355 -11.359 -3.149 1.00 0.00 H new ATOM 0 HA GLN A 27 -2.620 -14.126 -3.658 1.00 0.00 H new ATOM 0 HB2 GLN A 27 -4.783 -12.258 -4.419 1.00 0.00 H new ATOM 0 HB3 GLN A 27 -4.284 -13.346 -5.699 1.00 0.00 H new ATOM 0 HG2 GLN A 27 -4.941 -14.296 -2.874 1.00 0.00 H new ATOM 0 HG3 GLN A 27 -6.131 -14.227 -4.158 1.00 0.00 H new ATOM 0 HE21 GLN A 27 -6.499 -16.395 -4.227 1.00 0.00 H new ATOM 0 HE22 GLN A 27 -5.334 -17.570 -4.847 1.00 0.00 H new ATOM 543 N LYS A 35 -1.423 -16.647 0.258 1.00 0.00 N ATOM 544 CA LYS A 35 -0.332 -16.668 1.218 1.00 0.00 C ATOM 545 C LYS A 35 -0.526 -15.538 2.230 1.00 0.00 C ATOM 546 O LYS A 35 -1.407 -14.695 2.063 1.00 0.00 O ATOM 547 CB LYS A 35 1.016 -16.623 0.496 1.00 0.00 C ATOM 548 CG LYS A 35 1.796 -17.922 0.709 1.00 0.00 C ATOM 549 CD LYS A 35 2.920 -18.062 -0.320 1.00 0.00 C ATOM 550 CE LYS A 35 4.220 -18.517 0.346 1.00 0.00 C ATOM 551 NZ LYS A 35 4.925 -17.363 0.948 1.00 0.00 N ATOM 0 HA LYS A 35 -0.336 -17.602 1.780 1.00 0.00 H new ATOM 0 HB2 LYS A 35 0.856 -16.461 -0.570 1.00 0.00 H new ATOM 0 HB3 LYS A 35 1.601 -15.779 0.862 1.00 0.00 H new ATOM 0 HG2 LYS A 35 2.215 -17.938 1.715 1.00 0.00 H new ATOM 0 HG3 LYS A 35 1.120 -18.773 0.632 1.00 0.00 H new ATOM 0 HD2 LYS A 35 2.629 -18.781 -1.086 1.00 0.00 H new ATOM 0 HD3 LYS A 35 3.079 -17.108 -0.822 1.00 0.00 H new ATOM 0 HE2 LYS A 35 4.002 -19.259 1.114 1.00 0.00 H new ATOM 0 HE3 LYS A 35 4.863 -19.000 -0.390 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 5.805 -17.689 1.396 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 5.150 -16.669 0.207 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 4.316 -16.919 1.665 1.00 0.00 H new ATOM 565 N VAL A 36 0.310 -15.556 3.257 1.00 0.00 N ATOM 566 CA VAL A 36 0.241 -14.543 4.296 1.00 0.00 C ATOM 567 C VAL A 36 1.472 -13.639 4.204 1.00 0.00 C ATOM 568 O VAL A 36 2.589 -14.121 4.026 1.00 0.00 O ATOM 569 CB VAL A 36 0.090 -15.207 5.666 1.00 0.00 C ATOM 570 CG1 VAL A 36 0.504 -14.253 6.788 1.00 0.00 C ATOM 571 CG2 VAL A 36 -1.339 -15.712 5.876 1.00 0.00 C ATOM 0 H VAL A 36 1.039 -16.256 3.392 1.00 0.00 H new ATOM 0 HA VAL A 36 -0.637 -13.913 4.156 1.00 0.00 H new ATOM 0 HB VAL A 36 0.758 -16.068 5.695 1.00 0.00 H new ATOM 0 HG11 VAL A 36 0.387 -14.751 7.751 1.00 0.00 H new ATOM 0 HG12 VAL A 36 1.546 -13.964 6.654 1.00 0.00 H new ATOM 0 HG13 VAL A 36 -0.126 -13.364 6.760 1.00 0.00 H new ATOM 0 HG21 VAL A 36 -1.419 -16.180 6.857 1.00 0.00 H new ATOM 0 HG22 VAL A 36 -2.034 -14.874 5.815 1.00 0.00 H new ATOM 0 HG23 VAL A 36 -1.584 -16.443 5.105 1.00 0.00 H new ATOM 581 N ARG A 37 1.226 -12.343 4.328 1.00 0.00 N ATOM 582 CA ARG A 37 2.300 -11.367 4.260 1.00 0.00 C ATOM 583 C ARG A 37 1.926 -10.110 5.049 1.00 0.00 C ATOM 584 O ARG A 37 0.746 -9.820 5.238 1.00 0.00 O ATOM 585 CB ARG A 37 2.602 -10.980 2.811 1.00 0.00 C ATOM 586 CG ARG A 37 3.541 -11.995 2.157 1.00 0.00 C ATOM 587 CD ARG A 37 4.602 -11.293 1.307 1.00 0.00 C ATOM 588 NE ARG A 37 5.669 -12.250 0.938 1.00 0.00 N ATOM 589 CZ ARG A 37 5.613 -13.063 -0.126 1.00 0.00 C ATOM 590 NH1 ARG A 37 4.542 -13.041 -0.931 1.00 0.00 N ATOM 591 NH2 ARG A 37 6.628 -13.899 -0.384 1.00 0.00 N ATOM 0 H ARG A 37 0.298 -11.946 4.475 1.00 0.00 H new ATOM 0 HA ARG A 37 3.190 -11.822 4.695 1.00 0.00 H new ATOM 0 HB2 ARG A 37 1.672 -10.922 2.245 1.00 0.00 H new ATOM 0 HB3 ARG A 37 3.055 -9.989 2.782 1.00 0.00 H new ATOM 0 HG2 ARG A 37 4.026 -12.596 2.927 1.00 0.00 H new ATOM 0 HG3 ARG A 37 2.965 -12.679 1.534 1.00 0.00 H new ATOM 0 HD2 ARG A 37 4.145 -10.881 0.407 1.00 0.00 H new ATOM 0 HD3 ARG A 37 5.028 -10.456 1.860 1.00 0.00 H new ATOM 0 HE ARG A 37 6.498 -12.293 1.530 1.00 0.00 H new ATOM 0 HH11 ARG A 37 3.769 -12.405 -0.734 1.00 0.00 H new ATOM 0 HH12 ARG A 37 4.500 -13.660 -1.741 1.00 0.00 H new ATOM 0 HH21 ARG A 37 7.443 -13.916 0.229 1.00 0.00 H new ATOM 0 HH22 ARG A 37 6.586 -14.518 -1.194 1.00 0.00 H new ATOM 605 N LYS A 38 2.954 -9.398 5.488 1.00 0.00 N ATOM 606 CA LYS A 38 2.748 -8.180 6.252 1.00 0.00 C ATOM 607 C LYS A 38 2.548 -7.007 5.290 1.00 0.00 C ATOM 608 O LYS A 38 3.115 -6.991 4.199 1.00 0.00 O ATOM 609 CB LYS A 38 3.892 -7.971 7.246 1.00 0.00 C ATOM 610 CG LYS A 38 3.730 -6.648 7.999 1.00 0.00 C ATOM 611 CD LYS A 38 4.264 -6.762 9.428 1.00 0.00 C ATOM 612 CE LYS A 38 4.684 -5.393 9.967 1.00 0.00 C ATOM 613 NZ LYS A 38 6.154 -5.330 10.130 1.00 0.00 N ATOM 0 H LYS A 38 3.932 -9.642 5.329 1.00 0.00 H new ATOM 0 HA LYS A 38 1.843 -8.257 6.854 1.00 0.00 H new ATOM 0 HB2 LYS A 38 3.917 -8.797 7.957 1.00 0.00 H new ATOM 0 HB3 LYS A 38 4.845 -7.978 6.716 1.00 0.00 H new ATOM 0 HG2 LYS A 38 4.262 -5.857 7.470 1.00 0.00 H new ATOM 0 HG3 LYS A 38 2.678 -6.365 8.022 1.00 0.00 H new ATOM 0 HD2 LYS A 38 3.498 -7.191 10.073 1.00 0.00 H new ATOM 0 HD3 LYS A 38 5.116 -7.442 9.449 1.00 0.00 H new ATOM 0 HE2 LYS A 38 4.354 -4.610 9.285 1.00 0.00 H new ATOM 0 HE3 LYS A 38 4.197 -5.207 10.925 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 6.417 -4.420 10.560 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 6.469 -6.107 10.745 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 6.611 -5.418 9.200 1.00 0.00 H new ATOM 627 N PHE A 39 1.739 -6.054 5.729 1.00 0.00 N ATOM 628 CA PHE A 39 1.457 -4.880 4.921 1.00 0.00 C ATOM 629 C PHE A 39 1.397 -3.620 5.786 1.00 0.00 C ATOM 630 O PHE A 39 0.503 -3.477 6.620 1.00 0.00 O ATOM 631 CB PHE A 39 0.091 -5.103 4.270 1.00 0.00 C ATOM 632 CG PHE A 39 0.155 -5.813 2.916 1.00 0.00 C ATOM 633 CD1 PHE A 39 0.424 -5.102 1.788 1.00 0.00 C ATOM 634 CD2 PHE A 39 -0.057 -7.154 2.840 1.00 0.00 C ATOM 635 CE1 PHE A 39 0.484 -5.761 0.531 1.00 0.00 C ATOM 636 CE2 PHE A 39 0.003 -7.813 1.583 1.00 0.00 C ATOM 637 CZ PHE A 39 0.272 -7.102 0.455 1.00 0.00 C ATOM 0 H PHE A 39 1.270 -6.071 6.634 1.00 0.00 H new ATOM 0 HA PHE A 39 2.244 -4.741 4.179 1.00 0.00 H new ATOM 0 HB2 PHE A 39 -0.531 -5.689 4.947 1.00 0.00 H new ATOM 0 HB3 PHE A 39 -0.400 -4.138 4.140 1.00 0.00 H new ATOM 0 HD1 PHE A 39 0.592 -4.037 1.848 1.00 0.00 H new ATOM 0 HD2 PHE A 39 -0.271 -7.718 3.736 1.00 0.00 H new ATOM 0 HE1 PHE A 39 0.698 -5.197 -0.365 1.00 0.00 H new ATOM 0 HE2 PHE A 39 -0.165 -8.878 1.523 1.00 0.00 H new ATOM 0 HZ PHE A 39 0.317 -7.603 -0.501 1.00 0.00 H new ATOM 647 N ILE A 40 2.358 -2.737 5.558 1.00 0.00 N ATOM 648 CA ILE A 40 2.426 -1.494 6.306 1.00 0.00 C ATOM 649 C ILE A 40 2.029 -0.332 5.393 1.00 0.00 C ATOM 650 O ILE A 40 2.477 -0.255 4.250 1.00 0.00 O ATOM 651 CB ILE A 40 3.805 -1.328 6.947 1.00 0.00 C ATOM 652 CG1 ILE A 40 4.085 -2.454 7.945 1.00 0.00 C ATOM 653 CG2 ILE A 40 3.950 0.054 7.587 1.00 0.00 C ATOM 654 CD1 ILE A 40 5.570 -2.509 8.307 1.00 0.00 C ATOM 0 H ILE A 40 3.097 -2.858 4.865 1.00 0.00 H new ATOM 0 HA ILE A 40 1.716 -1.508 7.133 1.00 0.00 H new ATOM 0 HB ILE A 40 4.557 -1.399 6.161 1.00 0.00 H new ATOM 0 HG12 ILE A 40 3.493 -2.301 8.847 1.00 0.00 H new ATOM 0 HG13 ILE A 40 3.775 -3.408 7.518 1.00 0.00 H new ATOM 0 HG21 ILE A 40 4.939 0.145 8.035 1.00 0.00 H new ATOM 0 HG22 ILE A 40 3.825 0.823 6.825 1.00 0.00 H new ATOM 0 HG23 ILE A 40 3.189 0.180 8.358 1.00 0.00 H new ATOM 0 HD11 ILE A 40 5.742 -3.318 9.017 1.00 0.00 H new ATOM 0 HD12 ILE A 40 6.158 -2.686 7.406 1.00 0.00 H new ATOM 0 HD13 ILE A 40 5.870 -1.562 8.756 1.00 0.00 H new ATOM 666 N LEU A 41 1.192 0.543 5.932 1.00 0.00 N ATOM 667 CA LEU A 41 0.730 1.697 5.180 1.00 0.00 C ATOM 668 C LEU A 41 1.392 2.960 5.734 1.00 0.00 C ATOM 669 O LEU A 41 1.601 3.077 6.941 1.00 0.00 O ATOM 670 CB LEU A 41 -0.799 1.755 5.175 1.00 0.00 C ATOM 671 CG LEU A 41 -1.425 2.873 4.338 1.00 0.00 C ATOM 672 CD1 LEU A 41 -1.150 2.662 2.848 1.00 0.00 C ATOM 673 CD2 LEU A 41 -2.921 3.006 4.632 1.00 0.00 C ATOM 0 H LEU A 41 0.822 0.476 6.880 1.00 0.00 H new ATOM 0 HA LEU A 41 1.027 1.614 4.134 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -1.178 0.800 4.811 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -1.142 1.863 6.204 1.00 0.00 H new ATOM 0 HG LEU A 41 -0.956 3.815 4.621 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -1.606 3.470 2.276 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -0.074 2.656 2.674 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -1.574 1.709 2.531 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -3.341 3.807 4.024 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -3.423 2.068 4.394 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -3.065 3.237 5.687 1.00 0.00 H new ATOM 685 N ARG A 42 1.703 3.873 4.826 1.00 0.00 N ATOM 686 CA ARG A 42 2.337 5.123 5.209 1.00 0.00 C ATOM 687 C ARG A 42 1.895 6.251 4.274 1.00 0.00 C ATOM 688 O ARG A 42 2.097 6.172 3.063 1.00 0.00 O ATOM 689 CB ARG A 42 3.862 5.003 5.167 1.00 0.00 C ATOM 690 CG ARG A 42 4.330 4.437 3.825 1.00 0.00 C ATOM 691 CD ARG A 42 5.174 3.177 4.026 1.00 0.00 C ATOM 692 NE ARG A 42 6.083 3.355 5.180 1.00 0.00 N ATOM 693 CZ ARG A 42 6.701 2.347 5.812 1.00 0.00 C ATOM 694 NH1 ARG A 42 6.511 1.085 5.406 1.00 0.00 N ATOM 695 NH2 ARG A 42 7.509 2.603 6.850 1.00 0.00 N ATOM 0 H ARG A 42 1.528 3.772 3.826 1.00 0.00 H new ATOM 0 HA ARG A 42 2.030 5.351 6.230 1.00 0.00 H new ATOM 0 HB2 ARG A 42 4.312 5.982 5.330 1.00 0.00 H new ATOM 0 HB3 ARG A 42 4.202 4.357 5.977 1.00 0.00 H new ATOM 0 HG2 ARG A 42 3.466 4.205 3.203 1.00 0.00 H new ATOM 0 HG3 ARG A 42 4.913 5.189 3.293 1.00 0.00 H new ATOM 0 HD2 ARG A 42 4.525 2.317 4.193 1.00 0.00 H new ATOM 0 HD3 ARG A 42 5.752 2.969 3.126 1.00 0.00 H new ATOM 0 HE ARG A 42 6.250 4.304 5.516 1.00 0.00 H new ATOM 0 HH11 ARG A 42 5.896 0.891 4.616 1.00 0.00 H new ATOM 0 HH12 ARG A 42 6.981 0.318 5.887 1.00 0.00 H new ATOM 0 HH21 ARG A 42 7.654 3.564 7.159 1.00 0.00 H new ATOM 0 HH22 ARG A 42 7.979 1.837 7.331 1.00 0.00 H new ATOM 709 N GLU A 43 1.301 7.273 4.871 1.00 0.00 N ATOM 710 CA GLU A 43 0.830 8.415 4.107 1.00 0.00 C ATOM 711 C GLU A 43 1.830 9.569 4.203 1.00 0.00 C ATOM 712 O GLU A 43 2.482 9.746 5.231 1.00 0.00 O ATOM 713 CB GLU A 43 -0.559 8.854 4.577 1.00 0.00 C ATOM 714 CG GLU A 43 -0.538 9.249 6.055 1.00 0.00 C ATOM 715 CD GLU A 43 -0.974 10.704 6.240 1.00 0.00 C ATOM 716 OE1 GLU A 43 -1.943 11.098 5.554 1.00 0.00 O ATOM 717 OE2 GLU A 43 -0.330 11.389 7.062 1.00 0.00 O ATOM 0 H GLU A 43 1.135 7.334 5.876 1.00 0.00 H new ATOM 0 HA GLU A 43 0.748 8.118 3.062 1.00 0.00 H new ATOM 0 HB2 GLU A 43 -0.900 9.697 3.976 1.00 0.00 H new ATOM 0 HB3 GLU A 43 -1.272 8.044 4.423 1.00 0.00 H new ATOM 0 HG2 GLU A 43 -1.200 8.593 6.620 1.00 0.00 H new ATOM 0 HG3 GLU A 43 0.466 9.112 6.457 1.00 0.00 H new ATOM 724 N ASP A 44 1.921 10.323 3.118 1.00 0.00 N ATOM 725 CA ASP A 44 2.831 11.455 3.067 1.00 0.00 C ATOM 726 C ASP A 44 4.197 11.030 3.611 1.00 0.00 C ATOM 727 O ASP A 44 4.542 11.348 4.748 1.00 0.00 O ATOM 728 CB ASP A 44 2.320 12.613 3.925 1.00 0.00 C ATOM 729 CG ASP A 44 3.226 13.845 3.956 1.00 0.00 C ATOM 730 OD1 ASP A 44 3.720 14.214 2.869 1.00 0.00 O ATOM 731 OD2 ASP A 44 3.405 14.390 5.067 1.00 0.00 O ATOM 0 H ASP A 44 1.380 10.172 2.267 1.00 0.00 H new ATOM 0 HA ASP A 44 2.905 11.781 2.030 1.00 0.00 H new ATOM 0 HB2 ASP A 44 1.338 12.912 3.557 1.00 0.00 H new ATOM 0 HB3 ASP A 44 2.183 12.256 4.946 1.00 0.00 H new ATOM 736 N PRO A 45 4.956 10.299 2.751 1.00 0.00 N ATOM 737 CA PRO A 45 4.472 9.966 1.422 1.00 0.00 C ATOM 738 C PRO A 45 3.416 8.861 1.484 1.00 0.00 C ATOM 739 O PRO A 45 3.253 8.211 2.516 1.00 0.00 O ATOM 740 CB PRO A 45 5.712 9.561 0.642 1.00 0.00 C ATOM 741 CG PRO A 45 6.771 9.234 1.683 1.00 0.00 C ATOM 742 CD PRO A 45 6.291 9.772 3.021 1.00 0.00 C ATOM 0 HA PRO A 45 3.968 10.801 0.936 1.00 0.00 H new ATOM 0 HB2 PRO A 45 5.509 8.699 0.007 1.00 0.00 H new ATOM 0 HB3 PRO A 45 6.043 10.368 -0.012 1.00 0.00 H new ATOM 0 HG2 PRO A 45 6.931 8.157 1.740 1.00 0.00 H new ATOM 0 HG3 PRO A 45 7.726 9.684 1.411 1.00 0.00 H new ATOM 0 HD2 PRO A 45 6.261 8.986 3.776 1.00 0.00 H new ATOM 0 HD3 PRO A 45 6.956 10.550 3.396 1.00 0.00 H new ATOM 750 N ALA A 46 2.728 8.681 0.367 1.00 0.00 N ATOM 751 CA ALA A 46 1.692 7.665 0.281 1.00 0.00 C ATOM 752 C ALA A 46 2.268 6.410 -0.379 1.00 0.00 C ATOM 753 O ALA A 46 2.460 6.376 -1.593 1.00 0.00 O ATOM 754 CB ALA A 46 0.489 8.225 -0.481 1.00 0.00 C ATOM 0 H ALA A 46 2.867 9.221 -0.487 1.00 0.00 H new ATOM 0 HA ALA A 46 1.346 7.385 1.276 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -0.288 7.463 -0.545 1.00 0.00 H new ATOM 0 HB2 ALA A 46 0.099 9.097 0.044 1.00 0.00 H new ATOM 0 HB3 ALA A 46 0.797 8.515 -1.486 1.00 0.00 H new ATOM 760 N TYR A 47 2.527 5.410 0.451 1.00 0.00 N ATOM 761 CA TYR A 47 3.077 4.157 -0.037 1.00 0.00 C ATOM 762 C TYR A 47 2.595 2.979 0.812 1.00 0.00 C ATOM 763 O TYR A 47 2.018 3.175 1.881 1.00 0.00 O ATOM 764 CB TYR A 47 4.596 4.281 0.101 1.00 0.00 C ATOM 765 CG TYR A 47 5.289 4.844 -1.142 1.00 0.00 C ATOM 766 CD1 TYR A 47 5.249 4.145 -2.331 1.00 0.00 C ATOM 767 CD2 TYR A 47 5.954 6.051 -1.073 1.00 0.00 C ATOM 768 CE1 TYR A 47 5.902 4.675 -3.500 1.00 0.00 C ATOM 769 CE2 TYR A 47 6.607 6.581 -2.242 1.00 0.00 C ATOM 770 CZ TYR A 47 6.548 5.867 -3.398 1.00 0.00 C ATOM 771 OH TYR A 47 7.164 6.368 -4.502 1.00 0.00 O ATOM 0 H TYR A 47 2.366 5.442 1.458 1.00 0.00 H new ATOM 0 HA TYR A 47 2.764 3.975 -1.065 1.00 0.00 H new ATOM 0 HB2 TYR A 47 4.822 4.923 0.953 1.00 0.00 H new ATOM 0 HB3 TYR A 47 5.012 3.298 0.323 1.00 0.00 H new ATOM 0 HD1 TYR A 47 4.728 3.201 -2.385 1.00 0.00 H new ATOM 0 HD2 TYR A 47 5.985 6.598 -0.142 1.00 0.00 H new ATOM 0 HE1 TYR A 47 5.879 4.138 -4.437 1.00 0.00 H new ATOM 0 HE2 TYR A 47 7.132 7.524 -2.202 1.00 0.00 H new ATOM 0 HH TYR A 47 6.514 6.864 -5.042 1.00 0.00 H new ATOM 781 N LEU A 48 2.849 1.782 0.305 1.00 0.00 N ATOM 782 CA LEU A 48 2.447 0.573 1.003 1.00 0.00 C ATOM 783 C LEU A 48 3.547 -0.482 0.861 1.00 0.00 C ATOM 784 O LEU A 48 3.770 -1.008 -0.229 1.00 0.00 O ATOM 785 CB LEU A 48 1.076 0.102 0.515 1.00 0.00 C ATOM 786 CG LEU A 48 0.697 -1.338 0.867 1.00 0.00 C ATOM 787 CD1 LEU A 48 1.553 -2.337 0.086 1.00 0.00 C ATOM 788 CD2 LEU A 48 0.777 -1.573 2.377 1.00 0.00 C ATOM 0 H LEU A 48 3.328 1.623 -0.581 1.00 0.00 H new ATOM 0 HA LEU A 48 2.329 0.770 2.069 1.00 0.00 H new ATOM 0 HB2 LEU A 48 0.317 0.767 0.927 1.00 0.00 H new ATOM 0 HB3 LEU A 48 1.041 0.211 -0.569 1.00 0.00 H new ATOM 0 HG LEU A 48 -0.339 -1.500 0.570 1.00 0.00 H new ATOM 0 HD11 LEU A 48 1.263 -3.353 0.355 1.00 0.00 H new ATOM 0 HD12 LEU A 48 1.402 -2.188 -0.983 1.00 0.00 H new ATOM 0 HD13 LEU A 48 2.604 -2.183 0.329 1.00 0.00 H new ATOM 0 HD21 LEU A 48 0.503 -2.604 2.600 1.00 0.00 H new ATOM 0 HD22 LEU A 48 1.794 -1.386 2.721 1.00 0.00 H new ATOM 0 HD23 LEU A 48 0.091 -0.897 2.887 1.00 0.00 H new ATOM 800 N HIS A 49 4.204 -0.760 1.977 1.00 0.00 N ATOM 801 CA HIS A 49 5.275 -1.742 1.990 1.00 0.00 C ATOM 802 C HIS A 49 4.795 -3.015 2.691 1.00 0.00 C ATOM 803 O HIS A 49 3.965 -2.954 3.597 1.00 0.00 O ATOM 804 CB HIS A 49 6.540 -1.159 2.621 1.00 0.00 C ATOM 805 CG HIS A 49 7.243 -0.139 1.758 1.00 0.00 C ATOM 806 ND1 HIS A 49 6.727 1.123 1.517 1.00 0.00 N ATOM 807 CD2 HIS A 49 8.426 -0.206 1.083 1.00 0.00 C ATOM 808 CE1 HIS A 49 7.570 1.776 0.730 1.00 0.00 C ATOM 809 NE2 HIS A 49 8.622 0.950 0.462 1.00 0.00 N ATOM 0 H HIS A 49 4.016 -0.322 2.879 1.00 0.00 H new ATOM 0 HA HIS A 49 5.540 -2.009 0.967 1.00 0.00 H new ATOM 0 HB2 HIS A 49 6.279 -0.696 3.573 1.00 0.00 H new ATOM 0 HB3 HIS A 49 7.232 -1.972 2.841 1.00 0.00 H new ATOM 0 HD2 HIS A 49 9.091 -1.057 1.058 1.00 0.00 H new ATOM 0 HE1 HIS A 49 7.446 2.785 0.365 1.00 0.00 H new ATOM 0 HE2 HIS A 49 9.427 1.183 -0.120 1.00 0.00 H new ATOM 817 N TYR A 50 5.337 -4.138 2.244 1.00 0.00 N ATOM 818 CA TYR A 50 4.975 -5.424 2.817 1.00 0.00 C ATOM 819 C TYR A 50 6.216 -6.286 3.058 1.00 0.00 C ATOM 820 O TYR A 50 7.058 -6.430 2.173 1.00 0.00 O ATOM 821 CB TYR A 50 4.084 -6.111 1.781 1.00 0.00 C ATOM 822 CG TYR A 50 4.615 -6.025 0.349 1.00 0.00 C ATOM 823 CD1 TYR A 50 4.269 -4.956 -0.452 1.00 0.00 C ATOM 824 CD2 TYR A 50 5.441 -7.016 -0.142 1.00 0.00 C ATOM 825 CE1 TYR A 50 4.768 -4.874 -1.801 1.00 0.00 C ATOM 826 CE2 TYR A 50 5.941 -6.934 -1.490 1.00 0.00 C ATOM 827 CZ TYR A 50 5.580 -5.868 -2.253 1.00 0.00 C ATOM 828 OH TYR A 50 6.052 -5.791 -3.526 1.00 0.00 O ATOM 0 H TYR A 50 6.024 -4.185 1.492 1.00 0.00 H new ATOM 0 HA TYR A 50 4.474 -5.290 3.776 1.00 0.00 H new ATOM 0 HB2 TYR A 50 3.971 -7.160 2.053 1.00 0.00 H new ATOM 0 HB3 TYR A 50 3.091 -5.663 1.817 1.00 0.00 H new ATOM 0 HD1 TYR A 50 3.624 -4.180 -0.067 1.00 0.00 H new ATOM 0 HD2 TYR A 50 5.712 -7.853 0.485 1.00 0.00 H new ATOM 0 HE1 TYR A 50 4.504 -4.043 -2.439 1.00 0.00 H new ATOM 0 HE2 TYR A 50 6.588 -7.702 -1.886 1.00 0.00 H new ATOM 0 HH TYR A 50 6.620 -6.568 -3.712 1.00 0.00 H new ATOM 838 N TYR A 51 6.290 -6.836 4.261 1.00 0.00 N ATOM 839 CA TYR A 51 7.414 -7.681 4.630 1.00 0.00 C ATOM 840 C TYR A 51 6.952 -9.107 4.932 1.00 0.00 C ATOM 841 O TYR A 51 5.775 -9.337 5.209 1.00 0.00 O ATOM 842 CB TYR A 51 8.002 -7.067 5.902 1.00 0.00 C ATOM 843 CG TYR A 51 8.260 -5.562 5.806 1.00 0.00 C ATOM 844 CD1 TYR A 51 7.211 -4.673 5.926 1.00 0.00 C ATOM 845 CD2 TYR A 51 9.541 -5.094 5.600 1.00 0.00 C ATOM 846 CE1 TYR A 51 7.454 -3.257 5.835 1.00 0.00 C ATOM 847 CE2 TYR A 51 9.784 -3.677 5.509 1.00 0.00 C ATOM 848 CZ TYR A 51 8.728 -2.829 5.632 1.00 0.00 C ATOM 849 OH TYR A 51 8.958 -1.491 5.546 1.00 0.00 O ATOM 0 H TYR A 51 5.590 -6.713 4.993 1.00 0.00 H new ATOM 0 HA TYR A 51 8.138 -7.733 3.817 1.00 0.00 H new ATOM 0 HB2 TYR A 51 7.322 -7.256 6.732 1.00 0.00 H new ATOM 0 HB3 TYR A 51 8.939 -7.571 6.137 1.00 0.00 H new ATOM 0 HD1 TYR A 51 6.208 -5.040 6.088 1.00 0.00 H new ATOM 0 HD2 TYR A 51 10.362 -5.790 5.507 1.00 0.00 H new ATOM 0 HE1 TYR A 51 6.642 -2.551 5.926 1.00 0.00 H new ATOM 0 HE2 TYR A 51 10.782 -3.297 5.347 1.00 0.00 H new ATOM 0 HH TYR A 51 9.914 -1.332 5.401 1.00 0.00 H new ATOM 859 N ASP A 52 7.902 -10.029 4.868 1.00 0.00 N ATOM 860 CA ASP A 52 7.607 -11.427 5.132 1.00 0.00 C ATOM 861 C ASP A 52 7.194 -11.590 6.596 1.00 0.00 C ATOM 862 O ASP A 52 7.793 -10.986 7.484 1.00 0.00 O ATOM 863 CB ASP A 52 8.836 -12.305 4.887 1.00 0.00 C ATOM 864 CG ASP A 52 8.657 -13.782 5.243 1.00 0.00 C ATOM 865 OD1 ASP A 52 8.786 -14.095 6.447 1.00 0.00 O ATOM 866 OD2 ASP A 52 8.396 -14.565 4.305 1.00 0.00 O ATOM 0 H ASP A 52 8.876 -9.835 4.637 1.00 0.00 H new ATOM 0 HA ASP A 52 6.804 -11.734 4.461 1.00 0.00 H new ATOM 0 HB2 ASP A 52 9.113 -12.231 3.835 1.00 0.00 H new ATOM 0 HB3 ASP A 52 9.670 -11.906 5.465 1.00 0.00 H new ATOM 871 N PRO A 53 6.146 -12.430 6.807 1.00 0.00 N ATOM 872 CA PRO A 53 5.646 -12.680 8.149 1.00 0.00 C ATOM 873 C PRO A 53 6.588 -13.605 8.922 1.00 0.00 C ATOM 874 O PRO A 53 6.872 -13.368 10.095 1.00 0.00 O ATOM 875 CB PRO A 53 4.262 -13.276 7.948 1.00 0.00 C ATOM 876 CG PRO A 53 4.224 -13.768 6.510 1.00 0.00 C ATOM 877 CD PRO A 53 5.412 -13.163 5.779 1.00 0.00 C ATOM 0 HA PRO A 53 5.592 -11.774 8.753 1.00 0.00 H new ATOM 0 HB2 PRO A 53 4.084 -14.095 8.646 1.00 0.00 H new ATOM 0 HB3 PRO A 53 3.486 -12.531 8.126 1.00 0.00 H new ATOM 0 HG2 PRO A 53 4.270 -14.857 6.478 1.00 0.00 H new ATOM 0 HG3 PRO A 53 3.290 -13.474 6.030 1.00 0.00 H new ATOM 0 HD2 PRO A 53 6.032 -13.935 5.324 1.00 0.00 H new ATOM 0 HD3 PRO A 53 5.088 -12.501 4.976 1.00 0.00 H new ATOM 885 N ALA A 54 7.048 -14.639 8.233 1.00 0.00 N ATOM 886 CA ALA A 54 7.952 -15.600 8.841 1.00 0.00 C ATOM 887 C ALA A 54 9.121 -14.855 9.489 1.00 0.00 C ATOM 888 O ALA A 54 9.588 -15.238 10.561 1.00 0.00 O ATOM 889 CB ALA A 54 8.416 -16.604 7.783 1.00 0.00 C ATOM 0 H ALA A 54 6.812 -14.832 7.260 1.00 0.00 H new ATOM 0 HA ALA A 54 7.444 -16.162 9.625 1.00 0.00 H new ATOM 0 HB1 ALA A 54 9.094 -17.325 8.239 1.00 0.00 H new ATOM 0 HB2 ALA A 54 7.552 -17.127 7.374 1.00 0.00 H new ATOM 0 HB3 ALA A 54 8.933 -16.076 6.982 1.00 0.00 H new ATOM 895 N GLY A 55 9.559 -13.804 8.812 1.00 0.00 N ATOM 896 CA GLY A 55 10.664 -13.002 9.309 1.00 0.00 C ATOM 897 C GLY A 55 11.460 -12.389 8.155 1.00 0.00 C ATOM 898 O GLY A 55 11.720 -13.055 7.154 1.00 0.00 O ATOM 0 H GLY A 55 9.169 -13.489 7.924 1.00 0.00 H new ATOM 0 HA2 GLY A 55 10.282 -12.210 9.953 1.00 0.00 H new ATOM 0 HA3 GLY A 55 11.321 -13.621 9.920 1.00 0.00 H new ATOM 902 N ALA A 56 11.825 -11.128 8.333 1.00 0.00 N ATOM 903 CA ALA A 56 12.586 -10.419 7.319 1.00 0.00 C ATOM 904 C ALA A 56 13.043 -9.071 7.881 1.00 0.00 C ATOM 905 O ALA A 56 12.706 -8.718 9.010 1.00 0.00 O ATOM 906 CB ALA A 56 11.735 -10.266 6.056 1.00 0.00 C ATOM 0 H ALA A 56 11.608 -10.579 9.165 1.00 0.00 H new ATOM 0 HA ALA A 56 13.478 -10.982 7.045 1.00 0.00 H new ATOM 0 HB1 ALA A 56 12.306 -9.734 5.295 1.00 0.00 H new ATOM 0 HB2 ALA A 56 11.460 -11.252 5.681 1.00 0.00 H new ATOM 0 HB3 ALA A 56 10.832 -9.703 6.292 1.00 0.00 H new ATOM 912 N GLU A 57 13.805 -8.355 7.066 1.00 0.00 N ATOM 913 CA GLU A 57 14.312 -7.053 7.468 1.00 0.00 C ATOM 914 C GLU A 57 13.855 -5.978 6.480 1.00 0.00 C ATOM 915 O GLU A 57 13.186 -5.021 6.865 1.00 0.00 O ATOM 916 CB GLU A 57 15.837 -7.074 7.591 1.00 0.00 C ATOM 917 CG GLU A 57 16.337 -5.880 8.406 1.00 0.00 C ATOM 918 CD GLU A 57 17.282 -6.334 9.520 1.00 0.00 C ATOM 919 OE1 GLU A 57 16.903 -7.290 10.231 1.00 0.00 O ATOM 920 OE2 GLU A 57 18.361 -5.715 9.637 1.00 0.00 O ATOM 0 H GLU A 57 14.083 -8.651 6.130 1.00 0.00 H new ATOM 0 HA GLU A 57 13.905 -6.812 8.450 1.00 0.00 H new ATOM 0 HB2 GLU A 57 16.154 -8.002 8.066 1.00 0.00 H new ATOM 0 HB3 GLU A 57 16.286 -7.055 6.598 1.00 0.00 H new ATOM 0 HG2 GLU A 57 16.852 -5.178 7.751 1.00 0.00 H new ATOM 0 HG3 GLU A 57 15.489 -5.349 8.838 1.00 0.00 H new ATOM 927 N ASP A 58 14.236 -6.172 5.226 1.00 0.00 N ATOM 928 CA ASP A 58 13.874 -5.230 4.180 1.00 0.00 C ATOM 929 C ASP A 58 12.526 -5.634 3.581 1.00 0.00 C ATOM 930 O ASP A 58 12.165 -6.810 3.589 1.00 0.00 O ATOM 931 CB ASP A 58 14.911 -5.232 3.055 1.00 0.00 C ATOM 932 CG ASP A 58 15.382 -6.619 2.612 1.00 0.00 C ATOM 933 OD1 ASP A 58 14.537 -7.357 2.061 1.00 0.00 O ATOM 934 OD2 ASP A 58 16.578 -6.909 2.834 1.00 0.00 O ATOM 0 H ASP A 58 14.792 -6.967 4.911 1.00 0.00 H new ATOM 0 HA ASP A 58 13.825 -4.235 4.623 1.00 0.00 H new ATOM 0 HB2 ASP A 58 14.490 -4.715 2.193 1.00 0.00 H new ATOM 0 HB3 ASP A 58 15.778 -4.657 3.380 1.00 0.00 H new ATOM 939 N PRO A 59 11.798 -4.609 3.061 1.00 0.00 N ATOM 940 CA PRO A 59 10.496 -4.845 2.459 1.00 0.00 C ATOM 941 C PRO A 59 10.640 -5.489 1.079 1.00 0.00 C ATOM 942 O PRO A 59 11.424 -5.025 0.252 1.00 0.00 O ATOM 943 CB PRO A 59 9.831 -3.479 2.412 1.00 0.00 C ATOM 944 CG PRO A 59 10.953 -2.464 2.557 1.00 0.00 C ATOM 945 CD PRO A 59 12.192 -3.204 3.034 1.00 0.00 C ATOM 0 HA PRO A 59 9.889 -5.548 3.029 1.00 0.00 H new ATOM 0 HB2 PRO A 59 9.295 -3.338 1.473 1.00 0.00 H new ATOM 0 HB3 PRO A 59 9.101 -3.372 3.215 1.00 0.00 H new ATOM 0 HG2 PRO A 59 11.146 -1.970 1.605 1.00 0.00 H new ATOM 0 HG3 PRO A 59 10.675 -1.687 3.269 1.00 0.00 H new ATOM 0 HD2 PRO A 59 13.034 -3.042 2.361 1.00 0.00 H new ATOM 0 HD3 PRO A 59 12.503 -2.861 4.021 1.00 0.00 H new ATOM 953 N LEU A 60 9.870 -6.547 0.872 1.00 0.00 N ATOM 954 CA LEU A 60 9.902 -7.259 -0.395 1.00 0.00 C ATOM 955 C LEU A 60 9.692 -6.265 -1.539 1.00 0.00 C ATOM 956 O LEU A 60 10.196 -6.468 -2.643 1.00 0.00 O ATOM 957 CB LEU A 60 8.894 -8.410 -0.388 1.00 0.00 C ATOM 958 CG LEU A 60 9.069 -9.447 0.724 1.00 0.00 C ATOM 959 CD1 LEU A 60 7.783 -9.598 1.540 1.00 0.00 C ATOM 960 CD2 LEU A 60 9.547 -10.785 0.155 1.00 0.00 C ATOM 0 H LEU A 60 9.220 -6.929 1.560 1.00 0.00 H new ATOM 0 HA LEU A 60 10.877 -7.721 -0.548 1.00 0.00 H new ATOM 0 HB2 LEU A 60 7.892 -7.989 -0.311 1.00 0.00 H new ATOM 0 HB3 LEU A 60 8.951 -8.923 -1.348 1.00 0.00 H new ATOM 0 HG LEU A 60 9.843 -9.091 1.405 1.00 0.00 H new ATOM 0 HD11 LEU A 60 7.934 -10.341 2.323 1.00 0.00 H new ATOM 0 HD12 LEU A 60 7.525 -8.641 1.993 1.00 0.00 H new ATOM 0 HD13 LEU A 60 6.973 -9.920 0.886 1.00 0.00 H new ATOM 0 HD21 LEU A 60 9.663 -11.504 0.966 1.00 0.00 H new ATOM 0 HD22 LEU A 60 8.814 -11.159 -0.560 1.00 0.00 H new ATOM 0 HD23 LEU A 60 10.505 -10.646 -0.347 1.00 0.00 H new ATOM 972 N GLY A 61 8.947 -5.212 -1.236 1.00 0.00 N ATOM 973 CA GLY A 61 8.664 -4.186 -2.225 1.00 0.00 C ATOM 974 C GLY A 61 7.773 -3.089 -1.639 1.00 0.00 C ATOM 975 O GLY A 61 7.767 -2.871 -0.428 1.00 0.00 O ATOM 0 H GLY A 61 8.531 -5.047 -0.319 1.00 0.00 H new ATOM 0 HA2 GLY A 61 9.598 -3.750 -2.579 1.00 0.00 H new ATOM 0 HA3 GLY A 61 8.174 -4.634 -3.089 1.00 0.00 H new ATOM 979 N ALA A 62 7.043 -2.428 -2.524 1.00 0.00 N ATOM 980 CA ALA A 62 6.150 -1.359 -2.109 1.00 0.00 C ATOM 981 C ALA A 62 5.185 -1.035 -3.251 1.00 0.00 C ATOM 982 O ALA A 62 5.515 -1.224 -4.421 1.00 0.00 O ATOM 983 CB ALA A 62 6.974 -0.144 -1.679 1.00 0.00 C ATOM 0 H ALA A 62 7.051 -2.612 -3.527 1.00 0.00 H new ATOM 0 HA ALA A 62 5.553 -1.668 -1.251 1.00 0.00 H new ATOM 0 HB1 ALA A 62 6.305 0.658 -1.368 1.00 0.00 H new ATOM 0 HB2 ALA A 62 7.622 -0.420 -0.847 1.00 0.00 H new ATOM 0 HB3 ALA A 62 7.584 0.197 -2.516 1.00 0.00 H new ATOM 989 N ILE A 63 4.011 -0.552 -2.871 1.00 0.00 N ATOM 990 CA ILE A 63 2.995 -0.199 -3.849 1.00 0.00 C ATOM 991 C ILE A 63 2.775 1.315 -3.826 1.00 0.00 C ATOM 992 O ILE A 63 2.470 1.885 -2.780 1.00 0.00 O ATOM 993 CB ILE A 63 1.719 -1.010 -3.612 1.00 0.00 C ATOM 994 CG1 ILE A 63 2.043 -2.489 -3.391 1.00 0.00 C ATOM 995 CG2 ILE A 63 0.720 -0.806 -4.753 1.00 0.00 C ATOM 996 CD1 ILE A 63 0.809 -3.254 -2.909 1.00 0.00 C ATOM 0 H ILE A 63 3.741 -0.397 -1.900 1.00 0.00 H new ATOM 0 HA ILE A 63 3.327 -0.458 -4.854 1.00 0.00 H new ATOM 0 HB ILE A 63 1.246 -0.644 -2.701 1.00 0.00 H new ATOM 0 HG12 ILE A 63 2.408 -2.928 -4.320 1.00 0.00 H new ATOM 0 HG13 ILE A 63 2.844 -2.584 -2.658 1.00 0.00 H new ATOM 0 HG21 ILE A 63 -0.178 -1.393 -4.560 1.00 0.00 H new ATOM 0 HG22 ILE A 63 0.456 0.249 -4.821 1.00 0.00 H new ATOM 0 HG23 ILE A 63 1.169 -1.129 -5.692 1.00 0.00 H new ATOM 0 HD11 ILE A 63 1.066 -4.303 -2.760 1.00 0.00 H new ATOM 0 HD12 ILE A 63 0.461 -2.828 -1.968 1.00 0.00 H new ATOM 0 HD13 ILE A 63 0.019 -3.177 -3.656 1.00 0.00 H new ATOM 1008 N HIS A 64 2.938 1.922 -4.992 1.00 0.00 N ATOM 1009 CA HIS A 64 2.760 3.359 -5.119 1.00 0.00 C ATOM 1010 C HIS A 64 1.283 3.711 -4.939 1.00 0.00 C ATOM 1011 O HIS A 64 0.412 3.064 -5.519 1.00 0.00 O ATOM 1012 CB HIS A 64 3.333 3.862 -6.445 1.00 0.00 C ATOM 1013 CG HIS A 64 3.859 5.276 -6.390 1.00 0.00 C ATOM 1014 ND1 HIS A 64 4.293 5.959 -7.513 1.00 0.00 N ATOM 1015 CD2 HIS A 64 4.015 6.129 -5.337 1.00 0.00 C ATOM 1016 CE1 HIS A 64 4.691 7.167 -7.140 1.00 0.00 C ATOM 1017 NE2 HIS A 64 4.518 7.270 -5.791 1.00 0.00 N ATOM 0 H HIS A 64 3.191 1.445 -5.857 1.00 0.00 H new ATOM 0 HA HIS A 64 3.317 3.869 -4.333 1.00 0.00 H new ATOM 0 HB2 HIS A 64 4.139 3.197 -6.756 1.00 0.00 H new ATOM 0 HB3 HIS A 64 2.558 3.803 -7.209 1.00 0.00 H new ATOM 0 HD2 HIS A 64 3.770 5.912 -4.308 1.00 0.00 H new ATOM 0 HE1 HIS A 64 5.083 7.935 -7.790 1.00 0.00 H new ATOM 0 HE2 HIS A 64 4.739 8.089 -5.225 1.00 0.00 H new ATOM 1025 N LEU A 65 1.045 4.737 -4.135 1.00 0.00 N ATOM 1026 CA LEU A 65 -0.312 5.183 -3.872 1.00 0.00 C ATOM 1027 C LEU A 65 -0.451 6.650 -4.285 1.00 0.00 C ATOM 1028 O LEU A 65 -1.418 7.314 -3.914 1.00 0.00 O ATOM 1029 CB LEU A 65 -0.691 4.916 -2.414 1.00 0.00 C ATOM 1030 CG LEU A 65 -0.200 3.593 -1.824 1.00 0.00 C ATOM 1031 CD1 LEU A 65 -0.261 3.617 -0.296 1.00 0.00 C ATOM 1032 CD2 LEU A 65 -0.974 2.411 -2.411 1.00 0.00 C ATOM 0 H LEU A 65 1.770 5.272 -3.657 1.00 0.00 H new ATOM 0 HA LEU A 65 -1.023 4.614 -4.471 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -0.301 5.730 -1.803 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -1.777 4.947 -2.330 1.00 0.00 H new ATOM 0 HG LEU A 65 0.846 3.463 -2.101 1.00 0.00 H new ATOM 0 HD11 LEU A 65 0.094 2.664 0.097 1.00 0.00 H new ATOM 0 HD12 LEU A 65 0.370 4.422 0.081 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -1.290 3.781 0.025 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -0.606 1.482 -1.975 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -2.035 2.522 -2.185 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -0.834 2.385 -3.492 1.00 0.00 H new ATOM 1044 N ARG A 66 0.529 7.112 -5.048 1.00 0.00 N ATOM 1045 CA ARG A 66 0.528 8.488 -5.515 1.00 0.00 C ATOM 1046 C ARG A 66 -0.774 8.795 -6.257 1.00 0.00 C ATOM 1047 O ARG A 66 -1.234 9.936 -6.265 1.00 0.00 O ATOM 1048 CB ARG A 66 1.712 8.754 -6.446 1.00 0.00 C ATOM 1049 CG ARG A 66 1.722 7.768 -7.616 1.00 0.00 C ATOM 1050 CD ARG A 66 2.493 8.340 -8.808 1.00 0.00 C ATOM 1051 NE ARG A 66 3.153 7.246 -9.556 1.00 0.00 N ATOM 1052 CZ ARG A 66 4.162 7.428 -10.418 1.00 0.00 C ATOM 1053 NH1 ARG A 66 4.633 8.662 -10.648 1.00 0.00 N ATOM 1054 NH2 ARG A 66 4.700 6.377 -11.052 1.00 0.00 N ATOM 0 H ARG A 66 1.329 6.558 -5.354 1.00 0.00 H new ATOM 0 HA ARG A 66 0.614 9.135 -4.642 1.00 0.00 H new ATOM 0 HB2 ARG A 66 1.658 9.774 -6.826 1.00 0.00 H new ATOM 0 HB3 ARG A 66 2.644 8.671 -5.887 1.00 0.00 H new ATOM 0 HG2 ARG A 66 2.177 6.829 -7.301 1.00 0.00 H new ATOM 0 HG3 ARG A 66 0.698 7.542 -7.915 1.00 0.00 H new ATOM 0 HD2 ARG A 66 1.813 8.882 -9.465 1.00 0.00 H new ATOM 0 HD3 ARG A 66 3.238 9.055 -8.460 1.00 0.00 H new ATOM 0 HE ARG A 66 2.818 6.294 -9.406 1.00 0.00 H new ATOM 0 HH11 ARG A 66 4.223 9.462 -10.167 1.00 0.00 H new ATOM 0 HH12 ARG A 66 5.401 8.800 -11.304 1.00 0.00 H new ATOM 0 HH21 ARG A 66 4.341 5.438 -10.878 1.00 0.00 H new ATOM 0 HH22 ARG A 66 5.468 6.516 -11.708 1.00 0.00 H new ATOM 1068 N GLY A 67 -1.332 7.757 -6.863 1.00 0.00 N ATOM 1069 CA GLY A 67 -2.572 7.902 -7.606 1.00 0.00 C ATOM 1070 C GLY A 67 -3.279 6.555 -7.761 1.00 0.00 C ATOM 1071 O GLY A 67 -4.033 6.350 -8.712 1.00 0.00 O ATOM 0 H GLY A 67 -0.948 6.812 -6.854 1.00 0.00 H new ATOM 0 HA2 GLY A 67 -3.228 8.604 -7.092 1.00 0.00 H new ATOM 0 HA3 GLY A 67 -2.364 8.323 -8.590 1.00 0.00 H new ATOM 1075 N CYS A 68 -3.011 5.669 -6.813 1.00 0.00 N ATOM 1076 CA CYS A 68 -3.613 4.347 -6.832 1.00 0.00 C ATOM 1077 C CYS A 68 -5.118 4.500 -6.603 1.00 0.00 C ATOM 1078 O CYS A 68 -5.591 5.583 -6.264 1.00 0.00 O ATOM 1079 CB CYS A 68 -2.970 3.418 -5.799 1.00 0.00 C ATOM 1080 SG CYS A 68 -3.486 3.905 -4.112 1.00 0.00 S ATOM 0 H CYS A 68 -2.385 5.841 -6.027 1.00 0.00 H new ATOM 0 HA CYS A 68 -3.440 3.880 -7.802 1.00 0.00 H new ATOM 0 HB2 CYS A 68 -3.262 2.386 -5.994 1.00 0.00 H new ATOM 0 HB3 CYS A 68 -1.884 3.463 -5.883 1.00 0.00 H new ATOM 0 HG CYS A 68 -3.916 2.859 -3.471 1.00 0.00 H new ATOM 1086 N VAL A 69 -5.829 3.399 -6.799 1.00 0.00 N ATOM 1087 CA VAL A 69 -7.270 3.397 -6.618 1.00 0.00 C ATOM 1088 C VAL A 69 -7.654 2.304 -5.618 1.00 0.00 C ATOM 1089 O VAL A 69 -6.918 1.335 -5.441 1.00 0.00 O ATOM 1090 CB VAL A 69 -7.967 3.241 -7.971 1.00 0.00 C ATOM 1091 CG1 VAL A 69 -9.483 3.393 -7.828 1.00 0.00 C ATOM 1092 CG2 VAL A 69 -7.410 4.234 -8.993 1.00 0.00 C ATOM 0 H VAL A 69 -5.433 2.502 -7.081 1.00 0.00 H new ATOM 0 HA VAL A 69 -7.604 4.348 -6.203 1.00 0.00 H new ATOM 0 HB VAL A 69 -7.765 2.235 -8.338 1.00 0.00 H new ATOM 0 HG11 VAL A 69 -9.954 3.278 -8.804 1.00 0.00 H new ATOM 0 HG12 VAL A 69 -9.863 2.629 -7.149 1.00 0.00 H new ATOM 0 HG13 VAL A 69 -9.714 4.381 -7.428 1.00 0.00 H new ATOM 0 HG21 VAL A 69 -7.923 4.102 -9.946 1.00 0.00 H new ATOM 0 HG22 VAL A 69 -7.567 5.251 -8.635 1.00 0.00 H new ATOM 0 HG23 VAL A 69 -6.343 4.057 -9.128 1.00 0.00 H new ATOM 1102 N VAL A 70 -8.804 2.498 -4.991 1.00 0.00 N ATOM 1103 CA VAL A 70 -9.294 1.540 -4.014 1.00 0.00 C ATOM 1104 C VAL A 70 -10.653 1.004 -4.468 1.00 0.00 C ATOM 1105 O VAL A 70 -11.485 1.758 -4.971 1.00 0.00 O ATOM 1106 CB VAL A 70 -9.339 2.185 -2.627 1.00 0.00 C ATOM 1107 CG1 VAL A 70 -10.213 1.370 -1.671 1.00 0.00 C ATOM 1108 CG2 VAL A 70 -7.929 2.366 -2.061 1.00 0.00 C ATOM 0 H VAL A 70 -9.411 3.304 -5.140 1.00 0.00 H new ATOM 0 HA VAL A 70 -8.617 0.689 -3.941 1.00 0.00 H new ATOM 0 HB VAL A 70 -9.788 3.173 -2.731 1.00 0.00 H new ATOM 0 HG11 VAL A 70 -10.228 1.850 -0.693 1.00 0.00 H new ATOM 0 HG12 VAL A 70 -11.228 1.315 -2.064 1.00 0.00 H new ATOM 0 HG13 VAL A 70 -9.806 0.363 -1.575 1.00 0.00 H new ATOM 0 HG21 VAL A 70 -7.989 2.826 -1.075 1.00 0.00 H new ATOM 0 HG22 VAL A 70 -7.442 1.394 -1.979 1.00 0.00 H new ATOM 0 HG23 VAL A 70 -7.350 3.007 -2.726 1.00 0.00 H new ATOM 1118 N THR A 71 -10.836 -0.294 -4.274 1.00 0.00 N ATOM 1119 CA THR A 71 -12.080 -0.939 -4.657 1.00 0.00 C ATOM 1120 C THR A 71 -12.263 -2.247 -3.884 1.00 0.00 C ATOM 1121 O THR A 71 -11.376 -2.660 -3.139 1.00 0.00 O ATOM 1122 CB THR A 71 -12.066 -1.129 -6.176 1.00 0.00 C ATOM 1123 OG1 THR A 71 -13.441 -1.071 -6.546 1.00 0.00 O ATOM 1124 CG2 THR A 71 -11.629 -2.536 -6.586 1.00 0.00 C ATOM 0 H THR A 71 -10.144 -0.916 -3.857 1.00 0.00 H new ATOM 0 HA THR A 71 -12.941 -0.322 -4.399 1.00 0.00 H new ATOM 0 HB THR A 71 -11.398 -0.396 -6.627 1.00 0.00 H new ATOM 0 HG1 THR A 71 -13.524 -1.184 -7.516 1.00 0.00 H new ATOM 0 HG21 THR A 71 -11.637 -2.617 -7.673 1.00 0.00 H new ATOM 0 HG22 THR A 71 -10.622 -2.727 -6.215 1.00 0.00 H new ATOM 0 HG23 THR A 71 -12.317 -3.268 -6.163 1.00 0.00 H new ATOM 1132 N SER A 72 -13.420 -2.860 -4.087 1.00 0.00 N ATOM 1133 CA SER A 72 -13.730 -4.112 -3.418 1.00 0.00 C ATOM 1134 C SER A 72 -13.801 -5.248 -4.440 1.00 0.00 C ATOM 1135 O SER A 72 -14.016 -5.008 -5.627 1.00 0.00 O ATOM 1136 CB SER A 72 -15.046 -4.011 -2.645 1.00 0.00 C ATOM 1137 OG SER A 72 -15.518 -2.669 -2.565 1.00 0.00 O ATOM 0 H SER A 72 -14.154 -2.513 -4.705 1.00 0.00 H new ATOM 0 HA SER A 72 -12.935 -4.324 -2.703 1.00 0.00 H new ATOM 0 HB2 SER A 72 -15.799 -4.632 -3.130 1.00 0.00 H new ATOM 0 HB3 SER A 72 -14.906 -4.407 -1.639 1.00 0.00 H new ATOM 0 HG SER A 72 -16.361 -2.648 -2.065 1.00 0.00 H new ATOM 1143 N VAL A 73 -13.615 -6.462 -3.942 1.00 0.00 N ATOM 1144 CA VAL A 73 -13.655 -7.636 -4.797 1.00 0.00 C ATOM 1145 C VAL A 73 -15.110 -8.057 -5.011 1.00 0.00 C ATOM 1146 O VAL A 73 -16.030 -7.309 -4.685 1.00 0.00 O ATOM 1147 CB VAL A 73 -12.792 -8.749 -4.198 1.00 0.00 C ATOM 1148 CG1 VAL A 73 -11.341 -8.292 -4.037 1.00 0.00 C ATOM 1149 CG2 VAL A 73 -13.367 -9.230 -2.864 1.00 0.00 C ATOM 0 H VAL A 73 -13.436 -6.658 -2.957 1.00 0.00 H new ATOM 0 HA VAL A 73 -13.235 -7.409 -5.777 1.00 0.00 H new ATOM 0 HB VAL A 73 -12.802 -9.591 -4.891 1.00 0.00 H new ATOM 0 HG11 VAL A 73 -10.750 -9.102 -3.609 1.00 0.00 H new ATOM 0 HG12 VAL A 73 -10.935 -8.021 -5.011 1.00 0.00 H new ATOM 0 HG13 VAL A 73 -11.303 -7.427 -3.375 1.00 0.00 H new ATOM 0 HG21 VAL A 73 -12.735 -10.021 -2.459 1.00 0.00 H new ATOM 0 HG22 VAL A 73 -13.401 -8.398 -2.161 1.00 0.00 H new ATOM 0 HG23 VAL A 73 -14.375 -9.615 -3.020 1.00 0.00 H new ATOM 1318 N GLU A 85 -12.632 -15.238 2.019 1.00 0.00 N ATOM 1319 CA GLU A 85 -13.005 -14.309 3.072 1.00 0.00 C ATOM 1320 C GLU A 85 -13.192 -12.903 2.498 1.00 0.00 C ATOM 1321 O GLU A 85 -13.320 -12.736 1.286 1.00 0.00 O ATOM 1322 CB GLU A 85 -11.967 -14.309 4.196 1.00 0.00 C ATOM 1323 CG GLU A 85 -12.551 -14.898 5.482 1.00 0.00 C ATOM 1324 CD GLU A 85 -12.274 -13.985 6.678 1.00 0.00 C ATOM 1325 OE1 GLU A 85 -12.287 -12.753 6.467 1.00 0.00 O ATOM 1326 OE2 GLU A 85 -12.056 -14.540 7.777 1.00 0.00 O ATOM 0 HA GLU A 85 -13.954 -14.635 3.498 1.00 0.00 H new ATOM 0 HB2 GLU A 85 -11.095 -14.887 3.890 1.00 0.00 H new ATOM 0 HB3 GLU A 85 -11.626 -13.290 4.381 1.00 0.00 H new ATOM 0 HG2 GLU A 85 -13.626 -15.037 5.367 1.00 0.00 H new ATOM 0 HG3 GLU A 85 -12.120 -15.883 5.664 1.00 0.00 H new ATOM 1333 N ASN A 86 -13.203 -11.929 3.396 1.00 0.00 N ATOM 1334 CA ASN A 86 -13.372 -10.543 2.994 1.00 0.00 C ATOM 1335 C ASN A 86 -12.079 -10.042 2.347 1.00 0.00 C ATOM 1336 O ASN A 86 -11.058 -9.903 3.018 1.00 0.00 O ATOM 1337 CB ASN A 86 -13.673 -9.652 4.201 1.00 0.00 C ATOM 1338 CG ASN A 86 -14.714 -10.301 5.115 1.00 0.00 C ATOM 1339 OD1 ASN A 86 -15.877 -10.440 4.774 1.00 0.00 O ATOM 1340 ND2 ASN A 86 -14.233 -10.688 6.293 1.00 0.00 N ATOM 0 H ASN A 86 -13.098 -12.072 4.400 1.00 0.00 H new ATOM 0 HA ASN A 86 -14.206 -10.495 2.293 1.00 0.00 H new ATOM 0 HB2 ASN A 86 -12.756 -9.470 4.761 1.00 0.00 H new ATOM 0 HB3 ASN A 86 -14.037 -8.683 3.860 1.00 0.00 H new ATOM 0 HD21 ASN A 86 -14.849 -11.131 6.975 1.00 0.00 H new ATOM 0 HD22 ASN A 86 -13.248 -10.542 6.515 1.00 0.00 H new ATOM 1347 N LEU A 87 -12.165 -9.785 1.050 1.00 0.00 N ATOM 1348 CA LEU A 87 -11.015 -9.303 0.305 1.00 0.00 C ATOM 1349 C LEU A 87 -11.387 -8.006 -0.417 1.00 0.00 C ATOM 1350 O LEU A 87 -12.527 -7.551 -0.334 1.00 0.00 O ATOM 1351 CB LEU A 87 -10.484 -10.394 -0.627 1.00 0.00 C ATOM 1352 CG LEU A 87 -11.276 -11.703 -0.646 1.00 0.00 C ATOM 1353 CD1 LEU A 87 -11.511 -12.181 -2.080 1.00 0.00 C ATOM 1354 CD2 LEU A 87 -10.590 -12.771 0.209 1.00 0.00 C ATOM 0 H LEU A 87 -13.014 -9.902 0.496 1.00 0.00 H new ATOM 0 HA LEU A 87 -10.194 -9.068 0.983 1.00 0.00 H new ATOM 0 HB2 LEU A 87 -10.455 -9.995 -1.641 1.00 0.00 H new ATOM 0 HB3 LEU A 87 -9.456 -10.618 -0.343 1.00 0.00 H new ATOM 0 HG LEU A 87 -12.255 -11.516 -0.204 1.00 0.00 H new ATOM 0 HD11 LEU A 87 -12.076 -13.113 -2.065 1.00 0.00 H new ATOM 0 HD12 LEU A 87 -12.073 -11.425 -2.628 1.00 0.00 H new ATOM 0 HD13 LEU A 87 -10.552 -12.346 -2.570 1.00 0.00 H new ATOM 0 HD21 LEU A 87 -11.173 -13.691 0.178 1.00 0.00 H new ATOM 0 HD22 LEU A 87 -9.590 -12.962 -0.181 1.00 0.00 H new ATOM 0 HD23 LEU A 87 -10.518 -12.421 1.239 1.00 0.00 H new ATOM 1366 N PHE A 88 -10.404 -7.448 -1.108 1.00 0.00 N ATOM 1367 CA PHE A 88 -10.614 -6.213 -1.844 1.00 0.00 C ATOM 1368 C PHE A 88 -9.525 -6.011 -2.899 1.00 0.00 C ATOM 1369 O PHE A 88 -8.420 -6.535 -2.764 1.00 0.00 O ATOM 1370 CB PHE A 88 -10.543 -5.070 -0.829 1.00 0.00 C ATOM 1371 CG PHE A 88 -9.371 -5.178 0.148 1.00 0.00 C ATOM 1372 CD1 PHE A 88 -9.475 -5.969 1.250 1.00 0.00 C ATOM 1373 CD2 PHE A 88 -8.225 -4.484 -0.084 1.00 0.00 C ATOM 1374 CE1 PHE A 88 -8.387 -6.069 2.157 1.00 0.00 C ATOM 1375 CE2 PHE A 88 -7.137 -4.584 0.823 1.00 0.00 C ATOM 1376 CZ PHE A 88 -7.241 -5.375 1.924 1.00 0.00 C ATOM 0 H PHE A 88 -9.460 -7.828 -1.174 1.00 0.00 H new ATOM 0 HA PHE A 88 -11.576 -6.244 -2.356 1.00 0.00 H new ATOM 0 HB2 PHE A 88 -10.469 -4.125 -1.366 1.00 0.00 H new ATOM 0 HB3 PHE A 88 -11.474 -5.042 -0.262 1.00 0.00 H new ATOM 0 HD1 PHE A 88 -10.385 -6.521 1.435 1.00 0.00 H new ATOM 0 HD2 PHE A 88 -8.142 -3.856 -0.959 1.00 0.00 H new ATOM 0 HE1 PHE A 88 -8.470 -6.696 3.032 1.00 0.00 H new ATOM 0 HE2 PHE A 88 -6.227 -4.032 0.638 1.00 0.00 H new ATOM 0 HZ PHE A 88 -6.413 -5.452 2.614 1.00 0.00 H new ATOM 1386 N GLU A 89 -9.874 -5.250 -3.926 1.00 0.00 N ATOM 1387 CA GLU A 89 -8.940 -4.973 -5.004 1.00 0.00 C ATOM 1388 C GLU A 89 -8.416 -3.539 -4.896 1.00 0.00 C ATOM 1389 O GLU A 89 -9.188 -2.607 -4.675 1.00 0.00 O ATOM 1390 CB GLU A 89 -9.587 -5.219 -6.368 1.00 0.00 C ATOM 1391 CG GLU A 89 -8.610 -4.906 -7.503 1.00 0.00 C ATOM 1392 CD GLU A 89 -9.355 -4.433 -8.753 1.00 0.00 C ATOM 1393 OE1 GLU A 89 -9.919 -3.319 -8.689 1.00 0.00 O ATOM 1394 OE2 GLU A 89 -9.343 -5.195 -9.743 1.00 0.00 O ATOM 0 H GLU A 89 -10.791 -4.817 -4.034 1.00 0.00 H new ATOM 0 HA GLU A 89 -8.096 -5.656 -4.911 1.00 0.00 H new ATOM 0 HB2 GLU A 89 -9.911 -6.257 -6.439 1.00 0.00 H new ATOM 0 HB3 GLU A 89 -10.478 -4.599 -6.469 1.00 0.00 H new ATOM 0 HG2 GLU A 89 -7.908 -4.137 -7.181 1.00 0.00 H new ATOM 0 HG3 GLU A 89 -8.024 -5.794 -7.739 1.00 0.00 H new ATOM 1401 N ILE A 90 -7.107 -3.408 -5.057 1.00 0.00 N ATOM 1402 CA ILE A 90 -6.471 -2.103 -4.981 1.00 0.00 C ATOM 1403 C ILE A 90 -5.630 -1.877 -6.238 1.00 0.00 C ATOM 1404 O ILE A 90 -4.554 -2.455 -6.382 1.00 0.00 O ATOM 1405 CB ILE A 90 -5.680 -1.969 -3.679 1.00 0.00 C ATOM 1406 CG1 ILE A 90 -6.597 -2.108 -2.462 1.00 0.00 C ATOM 1407 CG2 ILE A 90 -4.887 -0.661 -3.652 1.00 0.00 C ATOM 1408 CD1 ILE A 90 -5.786 -2.155 -1.166 1.00 0.00 C ATOM 0 H ILE A 90 -6.470 -4.183 -5.240 1.00 0.00 H new ATOM 0 HA ILE A 90 -7.222 -1.313 -4.954 1.00 0.00 H new ATOM 0 HB ILE A 90 -4.959 -2.785 -3.633 1.00 0.00 H new ATOM 0 HG12 ILE A 90 -7.293 -1.270 -2.429 1.00 0.00 H new ATOM 0 HG13 ILE A 90 -7.194 -3.015 -2.554 1.00 0.00 H new ATOM 0 HG21 ILE A 90 -4.333 -0.590 -2.716 1.00 0.00 H new ATOM 0 HG22 ILE A 90 -4.189 -0.642 -4.489 1.00 0.00 H new ATOM 0 HG23 ILE A 90 -5.573 0.182 -3.732 1.00 0.00 H new ATOM 0 HD11 ILE A 90 -6.462 -2.254 -0.317 1.00 0.00 H new ATOM 0 HD12 ILE A 90 -5.108 -3.008 -1.192 1.00 0.00 H new ATOM 0 HD13 ILE A 90 -5.209 -1.236 -1.065 1.00 0.00 H new ATOM 1420 N ILE A 91 -6.152 -1.033 -7.117 1.00 0.00 N ATOM 1421 CA ILE A 91 -5.462 -0.723 -8.358 1.00 0.00 C ATOM 1422 C ILE A 91 -4.395 0.341 -8.091 1.00 0.00 C ATOM 1423 O ILE A 91 -4.613 1.260 -7.303 1.00 0.00 O ATOM 1424 CB ILE A 91 -6.464 -0.329 -9.444 1.00 0.00 C ATOM 1425 CG1 ILE A 91 -7.630 -1.319 -9.499 1.00 0.00 C ATOM 1426 CG2 ILE A 91 -5.773 -0.182 -10.801 1.00 0.00 C ATOM 1427 CD1 ILE A 91 -8.967 -0.584 -9.617 1.00 0.00 C ATOM 0 H ILE A 91 -7.044 -0.555 -6.994 1.00 0.00 H new ATOM 0 HA ILE A 91 -4.946 -1.605 -8.737 1.00 0.00 H new ATOM 0 HB ILE A 91 -6.880 0.645 -9.188 1.00 0.00 H new ATOM 0 HG12 ILE A 91 -7.503 -1.989 -10.349 1.00 0.00 H new ATOM 0 HG13 ILE A 91 -7.629 -1.938 -8.602 1.00 0.00 H new ATOM 0 HG21 ILE A 91 -6.508 0.099 -11.555 1.00 0.00 H new ATOM 0 HG22 ILE A 91 -5.006 0.590 -10.737 1.00 0.00 H new ATOM 0 HG23 ILE A 91 -5.312 -1.130 -11.079 1.00 0.00 H new ATOM 0 HD11 ILE A 91 -9.779 -1.310 -9.654 1.00 0.00 H new ATOM 0 HD12 ILE A 91 -9.102 0.067 -8.753 1.00 0.00 H new ATOM 0 HD13 ILE A 91 -8.974 0.015 -10.528 1.00 0.00 H new ATOM 1439 N THR A 92 -3.264 0.180 -8.761 1.00 0.00 N ATOM 1440 CA THR A 92 -2.162 1.115 -8.606 1.00 0.00 C ATOM 1441 C THR A 92 -2.087 2.055 -9.811 1.00 0.00 C ATOM 1442 O THR A 92 -2.991 2.074 -10.645 1.00 0.00 O ATOM 1443 CB THR A 92 -0.883 0.306 -8.386 1.00 0.00 C ATOM 1444 OG1 THR A 92 -0.822 -0.562 -9.515 1.00 0.00 O ATOM 1445 CG2 THR A 92 -0.988 -0.644 -7.191 1.00 0.00 C ATOM 0 H THR A 92 -3.086 -0.584 -9.413 1.00 0.00 H new ATOM 0 HA THR A 92 -2.309 1.759 -7.739 1.00 0.00 H new ATOM 0 HB THR A 92 -0.045 0.987 -8.235 1.00 0.00 H new ATOM 0 HG1 THR A 92 0.067 -0.505 -9.924 1.00 0.00 H new ATOM 0 HG21 THR A 92 -0.053 -1.194 -7.080 1.00 0.00 H new ATOM 0 HG22 THR A 92 -1.181 -0.069 -6.285 1.00 0.00 H new ATOM 0 HG23 THR A 92 -1.805 -1.347 -7.356 1.00 0.00 H new ATOM 1453 N ALA A 93 -1.001 2.811 -9.864 1.00 0.00 N ATOM 1454 CA ALA A 93 -0.796 3.751 -10.953 1.00 0.00 C ATOM 1455 C ALA A 93 -0.461 2.980 -12.231 1.00 0.00 C ATOM 1456 O ALA A 93 -0.652 3.487 -13.335 1.00 0.00 O ATOM 1457 CB ALA A 93 0.300 4.747 -10.569 1.00 0.00 C ATOM 0 H ALA A 93 -0.253 2.792 -9.170 1.00 0.00 H new ATOM 0 HA ALA A 93 -1.705 4.323 -11.142 1.00 0.00 H new ATOM 0 HB1 ALA A 93 0.454 5.452 -11.386 1.00 0.00 H new ATOM 0 HB2 ALA A 93 0.000 5.290 -9.673 1.00 0.00 H new ATOM 0 HB3 ALA A 93 1.228 4.210 -10.374 1.00 0.00 H new ATOM 1463 N ASP A 94 0.033 1.766 -12.039 1.00 0.00 N ATOM 1464 CA ASP A 94 0.396 0.919 -13.162 1.00 0.00 C ATOM 1465 C ASP A 94 -0.806 0.060 -13.558 1.00 0.00 C ATOM 1466 O ASP A 94 -0.730 -0.724 -14.503 1.00 0.00 O ATOM 1467 CB ASP A 94 1.547 -0.020 -12.795 1.00 0.00 C ATOM 1468 CG ASP A 94 2.639 -0.151 -13.859 1.00 0.00 C ATOM 1469 OD1 ASP A 94 3.533 0.723 -13.867 1.00 0.00 O ATOM 1470 OD2 ASP A 94 2.555 -1.123 -14.641 1.00 0.00 O ATOM 0 H ASP A 94 0.190 1.348 -11.122 1.00 0.00 H new ATOM 0 HA ASP A 94 0.705 1.565 -13.984 1.00 0.00 H new ATOM 0 HB2 ASP A 94 2.003 0.333 -11.870 1.00 0.00 H new ATOM 0 HB3 ASP A 94 1.138 -1.010 -12.592 1.00 0.00 H new ATOM 1475 N GLU A 95 -1.889 0.236 -12.815 1.00 0.00 N ATOM 1476 CA GLU A 95 -3.106 -0.513 -13.076 1.00 0.00 C ATOM 1477 C GLU A 95 -3.032 -1.893 -12.419 1.00 0.00 C ATOM 1478 O GLU A 95 -3.961 -2.691 -12.535 1.00 0.00 O ATOM 1479 CB GLU A 95 -3.363 -0.635 -14.579 1.00 0.00 C ATOM 1480 CG GLU A 95 -3.046 0.678 -15.298 1.00 0.00 C ATOM 1481 CD GLU A 95 -3.934 0.857 -16.531 1.00 0.00 C ATOM 1482 OE1 GLU A 95 -5.162 0.981 -16.333 1.00 0.00 O ATOM 1483 OE2 GLU A 95 -3.365 0.865 -17.644 1.00 0.00 O ATOM 0 H GLU A 95 -1.949 0.887 -12.032 1.00 0.00 H new ATOM 0 HA GLU A 95 -3.944 0.031 -12.640 1.00 0.00 H new ATOM 0 HB2 GLU A 95 -2.751 -1.437 -14.992 1.00 0.00 H new ATOM 0 HB3 GLU A 95 -4.404 -0.907 -14.753 1.00 0.00 H new ATOM 0 HG2 GLU A 95 -3.193 1.515 -14.615 1.00 0.00 H new ATOM 0 HG3 GLU A 95 -1.998 0.690 -15.596 1.00 0.00 H new ATOM 1490 N VAL A 96 -1.917 -2.132 -11.744 1.00 0.00 N ATOM 1491 CA VAL A 96 -1.709 -3.401 -11.068 1.00 0.00 C ATOM 1492 C VAL A 96 -2.828 -3.621 -10.048 1.00 0.00 C ATOM 1493 O VAL A 96 -3.163 -2.716 -9.285 1.00 0.00 O ATOM 1494 CB VAL A 96 -0.313 -3.438 -10.442 1.00 0.00 C ATOM 1495 CG1 VAL A 96 -0.042 -4.794 -9.787 1.00 0.00 C ATOM 1496 CG2 VAL A 96 0.762 -3.105 -11.478 1.00 0.00 C ATOM 0 H VAL A 96 -1.148 -1.468 -11.651 1.00 0.00 H new ATOM 0 HA VAL A 96 -1.753 -4.225 -11.781 1.00 0.00 H new ATOM 0 HB VAL A 96 -0.275 -2.676 -9.664 1.00 0.00 H new ATOM 0 HG11 VAL A 96 0.956 -4.794 -9.350 1.00 0.00 H new ATOM 0 HG12 VAL A 96 -0.780 -4.975 -9.006 1.00 0.00 H new ATOM 0 HG13 VAL A 96 -0.109 -5.581 -10.538 1.00 0.00 H new ATOM 0 HG21 VAL A 96 1.744 -3.138 -11.007 1.00 0.00 H new ATOM 0 HG22 VAL A 96 0.724 -3.832 -12.289 1.00 0.00 H new ATOM 0 HG23 VAL A 96 0.585 -2.107 -11.878 1.00 0.00 H new ATOM 1506 N HIS A 97 -3.375 -4.827 -10.068 1.00 0.00 N ATOM 1507 CA HIS A 97 -4.449 -5.177 -9.154 1.00 0.00 C ATOM 1508 C HIS A 97 -3.918 -6.123 -8.076 1.00 0.00 C ATOM 1509 O HIS A 97 -3.168 -7.051 -8.374 1.00 0.00 O ATOM 1510 CB HIS A 97 -5.644 -5.756 -9.915 1.00 0.00 C ATOM 1511 CG HIS A 97 -6.022 -4.973 -11.150 1.00 0.00 C ATOM 1512 ND1 HIS A 97 -7.164 -4.194 -11.223 1.00 0.00 N ATOM 1513 CD2 HIS A 97 -5.399 -4.857 -12.358 1.00 0.00 C ATOM 1514 CE1 HIS A 97 -7.216 -3.640 -12.426 1.00 0.00 C ATOM 1515 NE2 HIS A 97 -6.121 -4.053 -13.128 1.00 0.00 N ATOM 0 H HIS A 97 -3.095 -5.575 -10.703 1.00 0.00 H new ATOM 0 HA HIS A 97 -4.812 -4.279 -8.654 1.00 0.00 H new ATOM 0 HB2 HIS A 97 -5.416 -6.782 -10.203 1.00 0.00 H new ATOM 0 HB3 HIS A 97 -6.503 -5.797 -9.246 1.00 0.00 H new ATOM 0 HD2 HIS A 97 -4.474 -5.338 -12.640 1.00 0.00 H new ATOM 0 HE1 HIS A 97 -7.989 -2.978 -12.787 1.00 0.00 H new ATOM 0 HE2 HIS A 97 -5.895 -3.787 -14.087 1.00 0.00 H new ATOM 1523 N TYR A 98 -4.329 -5.856 -6.845 1.00 0.00 N ATOM 1524 CA TYR A 98 -3.904 -6.673 -5.720 1.00 0.00 C ATOM 1525 C TYR A 98 -5.097 -7.068 -4.848 1.00 0.00 C ATOM 1526 O TYR A 98 -5.953 -6.238 -4.547 1.00 0.00 O ATOM 1527 CB TYR A 98 -2.954 -5.798 -4.899 1.00 0.00 C ATOM 1528 CG TYR A 98 -1.579 -5.601 -5.539 1.00 0.00 C ATOM 1529 CD1 TYR A 98 -0.766 -6.691 -5.778 1.00 0.00 C ATOM 1530 CD2 TYR A 98 -1.151 -4.334 -5.878 1.00 0.00 C ATOM 1531 CE1 TYR A 98 0.528 -6.506 -6.380 1.00 0.00 C ATOM 1532 CE2 TYR A 98 0.144 -4.148 -6.481 1.00 0.00 C ATOM 1533 CZ TYR A 98 0.920 -5.243 -6.702 1.00 0.00 C ATOM 1534 OH TYR A 98 2.142 -5.069 -7.271 1.00 0.00 O ATOM 0 H TYR A 98 -4.952 -5.086 -6.602 1.00 0.00 H new ATOM 0 HA TYR A 98 -3.431 -7.591 -6.069 1.00 0.00 H new ATOM 0 HB2 TYR A 98 -3.416 -4.822 -4.747 1.00 0.00 H new ATOM 0 HB3 TYR A 98 -2.824 -6.246 -3.914 1.00 0.00 H new ATOM 0 HD1 TYR A 98 -1.101 -7.683 -5.513 1.00 0.00 H new ATOM 0 HD2 TYR A 98 -1.787 -3.481 -5.691 1.00 0.00 H new ATOM 0 HE1 TYR A 98 1.174 -7.350 -6.572 1.00 0.00 H new ATOM 0 HE2 TYR A 98 0.491 -3.162 -6.751 1.00 0.00 H new ATOM 0 HH TYR A 98 2.288 -4.116 -7.448 1.00 0.00 H new ATOM 1544 N PHE A 99 -5.115 -8.337 -4.466 1.00 0.00 N ATOM 1545 CA PHE A 99 -6.189 -8.853 -3.635 1.00 0.00 C ATOM 1546 C PHE A 99 -5.677 -9.210 -2.238 1.00 0.00 C ATOM 1547 O PHE A 99 -4.976 -10.206 -2.065 1.00 0.00 O ATOM 1548 CB PHE A 99 -6.711 -10.121 -4.313 1.00 0.00 C ATOM 1549 CG PHE A 99 -7.804 -9.865 -5.353 1.00 0.00 C ATOM 1550 CD1 PHE A 99 -7.712 -8.795 -6.186 1.00 0.00 C ATOM 1551 CD2 PHE A 99 -8.866 -10.709 -5.444 1.00 0.00 C ATOM 1552 CE1 PHE A 99 -8.727 -8.557 -7.152 1.00 0.00 C ATOM 1553 CE2 PHE A 99 -9.880 -10.472 -6.409 1.00 0.00 C ATOM 1554 CZ PHE A 99 -9.789 -9.401 -7.243 1.00 0.00 C ATOM 0 H PHE A 99 -4.403 -9.023 -4.717 1.00 0.00 H new ATOM 0 HA PHE A 99 -6.969 -8.100 -3.526 1.00 0.00 H new ATOM 0 HB2 PHE A 99 -5.878 -10.632 -4.795 1.00 0.00 H new ATOM 0 HB3 PHE A 99 -7.100 -10.795 -3.550 1.00 0.00 H new ATOM 0 HD1 PHE A 99 -6.868 -8.126 -6.114 1.00 0.00 H new ATOM 0 HD2 PHE A 99 -8.938 -11.560 -4.782 1.00 0.00 H new ATOM 0 HE1 PHE A 99 -8.655 -7.706 -7.813 1.00 0.00 H new ATOM 0 HE2 PHE A 99 -10.724 -11.142 -6.481 1.00 0.00 H new ATOM 0 HZ PHE A 99 -10.560 -9.221 -7.977 1.00 0.00 H new ATOM 1564 N LEU A 100 -6.048 -8.378 -1.276 1.00 0.00 N ATOM 1565 CA LEU A 100 -5.635 -8.593 0.101 1.00 0.00 C ATOM 1566 C LEU A 100 -6.855 -8.975 0.941 1.00 0.00 C ATOM 1567 O LEU A 100 -7.873 -8.284 0.914 1.00 0.00 O ATOM 1568 CB LEU A 100 -4.880 -7.372 0.631 1.00 0.00 C ATOM 1569 CG LEU A 100 -3.714 -6.879 -0.228 1.00 0.00 C ATOM 1570 CD1 LEU A 100 -2.900 -8.054 -0.773 1.00 0.00 C ATOM 1571 CD2 LEU A 100 -4.207 -5.956 -1.344 1.00 0.00 C ATOM 0 H LEU A 100 -6.630 -7.553 -1.423 1.00 0.00 H new ATOM 0 HA LEU A 100 -4.933 -9.424 0.163 1.00 0.00 H new ATOM 0 HB2 LEU A 100 -5.590 -6.553 0.749 1.00 0.00 H new ATOM 0 HB3 LEU A 100 -4.499 -7.608 1.624 1.00 0.00 H new ATOM 0 HG LEU A 100 -3.048 -6.292 0.404 1.00 0.00 H new ATOM 0 HD11 LEU A 100 -2.077 -7.676 -1.380 1.00 0.00 H new ATOM 0 HD12 LEU A 100 -2.501 -8.636 0.057 1.00 0.00 H new ATOM 0 HD13 LEU A 100 -3.541 -8.688 -1.385 1.00 0.00 H new ATOM 0 HD21 LEU A 100 -3.358 -5.620 -1.940 1.00 0.00 H new ATOM 0 HD22 LEU A 100 -4.906 -6.497 -1.982 1.00 0.00 H new ATOM 0 HD23 LEU A 100 -4.708 -5.092 -0.907 1.00 0.00 H new ATOM 1583 N GLN A 101 -6.714 -10.074 1.667 1.00 0.00 N ATOM 1584 CA GLN A 101 -7.792 -10.555 2.513 1.00 0.00 C ATOM 1585 C GLN A 101 -7.629 -10.019 3.937 1.00 0.00 C ATOM 1586 O GLN A 101 -6.520 -9.986 4.469 1.00 0.00 O ATOM 1587 CB GLN A 101 -7.853 -12.084 2.507 1.00 0.00 C ATOM 1588 CG GLN A 101 -9.076 -12.587 3.276 1.00 0.00 C ATOM 1589 CD GLN A 101 -8.835 -13.993 3.831 1.00 0.00 C ATOM 1590 OE1 GLN A 101 -8.691 -14.200 5.025 1.00 0.00 O ATOM 1591 NE2 GLN A 101 -8.798 -14.943 2.901 1.00 0.00 N ATOM 0 H GLN A 101 -5.869 -10.645 1.687 1.00 0.00 H new ATOM 0 HA GLN A 101 -8.735 -10.184 2.112 1.00 0.00 H new ATOM 0 HB2 GLN A 101 -7.891 -12.446 1.480 1.00 0.00 H new ATOM 0 HB3 GLN A 101 -6.946 -12.489 2.954 1.00 0.00 H new ATOM 0 HG2 GLN A 101 -9.302 -11.903 4.094 1.00 0.00 H new ATOM 0 HG3 GLN A 101 -9.945 -12.596 2.618 1.00 0.00 H new ATOM 0 HE21 GLN A 101 -8.926 -14.700 1.919 1.00 0.00 H new ATOM 0 HE22 GLN A 101 -8.641 -15.914 3.170 1.00 0.00 H new ATOM 1600 N ALA A 102 -8.751 -9.613 4.514 1.00 0.00 N ATOM 1601 CA ALA A 102 -8.746 -9.080 5.866 1.00 0.00 C ATOM 1602 C ALA A 102 -9.306 -10.131 6.826 1.00 0.00 C ATOM 1603 O ALA A 102 -9.941 -11.093 6.397 1.00 0.00 O ATOM 1604 CB ALA A 102 -9.542 -7.774 5.902 1.00 0.00 C ATOM 0 H ALA A 102 -9.669 -9.642 4.070 1.00 0.00 H new ATOM 0 HA ALA A 102 -7.729 -8.851 6.185 1.00 0.00 H new ATOM 0 HB1 ALA A 102 -9.539 -7.374 6.916 1.00 0.00 H new ATOM 0 HB2 ALA A 102 -9.086 -7.051 5.225 1.00 0.00 H new ATOM 0 HB3 ALA A 102 -10.569 -7.965 5.591 1.00 0.00 H new ATOM 1610 N ALA A 103 -9.051 -9.912 8.107 1.00 0.00 N ATOM 1611 CA ALA A 103 -9.522 -10.828 9.132 1.00 0.00 C ATOM 1612 C ALA A 103 -11.031 -10.651 9.314 1.00 0.00 C ATOM 1613 O ALA A 103 -11.798 -11.593 9.121 1.00 0.00 O ATOM 1614 CB ALA A 103 -8.746 -10.588 10.428 1.00 0.00 C ATOM 0 H ALA A 103 -8.524 -9.113 8.459 1.00 0.00 H new ATOM 0 HA ALA A 103 -9.345 -11.861 8.833 1.00 0.00 H new ATOM 0 HB1 ALA A 103 -9.100 -11.275 11.196 1.00 0.00 H new ATOM 0 HB2 ALA A 103 -7.683 -10.756 10.252 1.00 0.00 H new ATOM 0 HB3 ALA A 103 -8.901 -9.561 10.760 1.00 0.00 H new ATOM 1620 N THR A 104 -11.412 -9.437 9.683 1.00 0.00 N ATOM 1621 CA THR A 104 -12.815 -9.124 9.894 1.00 0.00 C ATOM 1622 C THR A 104 -13.377 -8.360 8.694 1.00 0.00 C ATOM 1623 O THR A 104 -12.621 -7.810 7.894 1.00 0.00 O ATOM 1624 CB THR A 104 -12.936 -8.359 11.213 1.00 0.00 C ATOM 1625 OG1 THR A 104 -12.082 -7.231 11.039 1.00 0.00 O ATOM 1626 CG2 THR A 104 -12.317 -9.117 12.389 1.00 0.00 C ATOM 0 H THR A 104 -10.773 -8.658 9.841 1.00 0.00 H new ATOM 0 HA THR A 104 -13.415 -10.031 9.972 1.00 0.00 H new ATOM 0 HB THR A 104 -13.987 -8.161 11.422 1.00 0.00 H new ATOM 0 HG1 THR A 104 -12.101 -6.678 11.848 1.00 0.00 H new ATOM 0 HG21 THR A 104 -12.430 -8.530 13.300 1.00 0.00 H new ATOM 0 HG22 THR A 104 -12.821 -10.076 12.510 1.00 0.00 H new ATOM 0 HG23 THR A 104 -11.258 -9.286 12.196 1.00 0.00 H new ATOM 1634 N PRO A 105 -14.734 -8.349 8.603 1.00 0.00 N ATOM 1635 CA PRO A 105 -15.406 -7.661 7.514 1.00 0.00 C ATOM 1636 C PRO A 105 -15.373 -6.145 7.720 1.00 0.00 C ATOM 1637 O PRO A 105 -15.672 -5.384 6.801 1.00 0.00 O ATOM 1638 CB PRO A 105 -16.816 -8.228 7.501 1.00 0.00 C ATOM 1639 CG PRO A 105 -17.021 -8.866 8.865 1.00 0.00 C ATOM 1640 CD PRO A 105 -15.661 -8.989 9.532 1.00 0.00 C ATOM 0 HA PRO A 105 -14.919 -7.819 6.552 1.00 0.00 H new ATOM 0 HB2 PRO A 105 -17.551 -7.443 7.323 1.00 0.00 H new ATOM 0 HB3 PRO A 105 -16.934 -8.963 6.704 1.00 0.00 H new ATOM 0 HG2 PRO A 105 -17.691 -8.259 9.474 1.00 0.00 H new ATOM 0 HG3 PRO A 105 -17.485 -9.847 8.762 1.00 0.00 H new ATOM 0 HD2 PRO A 105 -15.651 -8.496 10.504 1.00 0.00 H new ATOM 0 HD3 PRO A 105 -15.395 -10.033 9.701 1.00 0.00 H new ATOM 1648 N LYS A 106 -15.007 -5.753 8.931 1.00 0.00 N ATOM 1649 CA LYS A 106 -14.931 -4.342 9.269 1.00 0.00 C ATOM 1650 C LYS A 106 -13.543 -3.809 8.908 1.00 0.00 C ATOM 1651 O LYS A 106 -13.389 -2.628 8.599 1.00 0.00 O ATOM 1652 CB LYS A 106 -15.312 -4.120 10.735 1.00 0.00 C ATOM 1653 CG LYS A 106 -15.537 -2.635 11.025 1.00 0.00 C ATOM 1654 CD LYS A 106 -16.755 -2.430 11.927 1.00 0.00 C ATOM 1655 CE LYS A 106 -17.561 -1.206 11.491 1.00 0.00 C ATOM 1656 NZ LYS A 106 -17.376 -0.094 12.450 1.00 0.00 N ATOM 0 H LYS A 106 -14.760 -6.388 9.690 1.00 0.00 H new ATOM 0 HA LYS A 106 -15.654 -3.772 8.686 1.00 0.00 H new ATOM 0 HB2 LYS A 106 -16.217 -4.681 10.968 1.00 0.00 H new ATOM 0 HB3 LYS A 106 -14.523 -4.505 11.382 1.00 0.00 H new ATOM 0 HG2 LYS A 106 -14.652 -2.216 11.503 1.00 0.00 H new ATOM 0 HG3 LYS A 106 -15.679 -2.096 10.089 1.00 0.00 H new ATOM 0 HD2 LYS A 106 -17.388 -3.317 11.896 1.00 0.00 H new ATOM 0 HD3 LYS A 106 -16.430 -2.307 12.960 1.00 0.00 H new ATOM 0 HE2 LYS A 106 -17.246 -0.892 10.496 1.00 0.00 H new ATOM 0 HE3 LYS A 106 -18.618 -1.464 11.424 1.00 0.00 H new ATOM 0 HZ1 LYS A 106 -17.930 0.729 12.138 1.00 0.00 H new ATOM 0 HZ2 LYS A 106 -17.698 -0.392 13.393 1.00 0.00 H new ATOM 0 HZ3 LYS A 106 -16.369 0.163 12.493 1.00 0.00 H new ATOM 1670 N GLU A 107 -12.569 -4.705 8.959 1.00 0.00 N ATOM 1671 CA GLU A 107 -11.199 -4.340 8.641 1.00 0.00 C ATOM 1672 C GLU A 107 -11.061 -4.047 7.146 1.00 0.00 C ATOM 1673 O GLU A 107 -10.619 -2.966 6.759 1.00 0.00 O ATOM 1674 CB GLU A 107 -10.224 -5.435 9.077 1.00 0.00 C ATOM 1675 CG GLU A 107 -8.813 -5.151 8.558 1.00 0.00 C ATOM 1676 CD GLU A 107 -7.769 -5.387 9.652 1.00 0.00 C ATOM 1677 OE1 GLU A 107 -8.029 -4.942 10.790 1.00 0.00 O ATOM 1678 OE2 GLU A 107 -6.734 -6.006 9.324 1.00 0.00 O ATOM 0 H GLU A 107 -12.701 -5.683 9.216 1.00 0.00 H new ATOM 0 HA GLU A 107 -10.948 -3.435 9.194 1.00 0.00 H new ATOM 0 HB2 GLU A 107 -10.209 -5.501 10.165 1.00 0.00 H new ATOM 0 HB3 GLU A 107 -10.565 -6.401 8.704 1.00 0.00 H new ATOM 0 HG2 GLU A 107 -8.600 -5.792 7.703 1.00 0.00 H new ATOM 0 HG3 GLU A 107 -8.751 -4.121 8.207 1.00 0.00 H new ATOM 1685 N ARG A 108 -11.448 -5.029 6.345 1.00 0.00 N ATOM 1686 CA ARG A 108 -11.373 -4.890 4.900 1.00 0.00 C ATOM 1687 C ARG A 108 -11.759 -3.469 4.483 1.00 0.00 C ATOM 1688 O ARG A 108 -11.098 -2.865 3.640 1.00 0.00 O ATOM 1689 CB ARG A 108 -12.299 -5.888 4.202 1.00 0.00 C ATOM 1690 CG ARG A 108 -12.369 -5.612 2.699 1.00 0.00 C ATOM 1691 CD ARG A 108 -13.583 -4.746 2.356 1.00 0.00 C ATOM 1692 NE ARG A 108 -14.804 -5.582 2.308 1.00 0.00 N ATOM 1693 CZ ARG A 108 -15.986 -5.159 1.841 1.00 0.00 C ATOM 1694 NH1 ARG A 108 -16.115 -3.907 1.379 1.00 0.00 N ATOM 1695 NH2 ARG A 108 -17.040 -5.987 1.836 1.00 0.00 N ATOM 0 H ARG A 108 -11.814 -5.924 6.669 1.00 0.00 H new ATOM 0 HA ARG A 108 -10.345 -5.094 4.600 1.00 0.00 H new ATOM 0 HB2 ARG A 108 -11.940 -6.903 4.373 1.00 0.00 H new ATOM 0 HB3 ARG A 108 -13.298 -5.826 4.634 1.00 0.00 H new ATOM 0 HG2 ARG A 108 -11.457 -5.111 2.375 1.00 0.00 H new ATOM 0 HG3 ARG A 108 -12.425 -6.555 2.155 1.00 0.00 H new ATOM 0 HD2 ARG A 108 -13.700 -3.959 3.101 1.00 0.00 H new ATOM 0 HD3 ARG A 108 -13.430 -4.255 1.395 1.00 0.00 H new ATOM 0 HE ARG A 108 -14.741 -6.540 2.652 1.00 0.00 H new ATOM 0 HH11 ARG A 108 -15.313 -3.277 1.383 1.00 0.00 H new ATOM 0 HH12 ARG A 108 -17.015 -3.585 1.023 1.00 0.00 H new ATOM 0 HH21 ARG A 108 -16.942 -6.939 2.188 1.00 0.00 H new ATOM 0 HH22 ARG A 108 -17.940 -5.665 1.480 1.00 0.00 H new ATOM 1709 N THR A 109 -12.827 -2.977 5.092 1.00 0.00 N ATOM 1710 CA THR A 109 -13.309 -1.639 4.795 1.00 0.00 C ATOM 1711 C THR A 109 -12.319 -0.590 5.306 1.00 0.00 C ATOM 1712 O THR A 109 -11.960 0.335 4.580 1.00 0.00 O ATOM 1713 CB THR A 109 -14.709 -1.496 5.394 1.00 0.00 C ATOM 1714 OG1 THR A 109 -15.575 -1.987 4.374 1.00 0.00 O ATOM 1715 CG2 THR A 109 -15.126 -0.034 5.566 1.00 0.00 C ATOM 0 H THR A 109 -13.373 -3.481 5.791 1.00 0.00 H new ATOM 0 HA THR A 109 -13.382 -1.475 3.720 1.00 0.00 H new ATOM 0 HB THR A 109 -14.743 -1.999 6.360 1.00 0.00 H new ATOM 0 HG1 THR A 109 -16.504 -1.932 4.680 1.00 0.00 H new ATOM 0 HG21 THR A 109 -16.127 0.011 5.995 1.00 0.00 H new ATOM 0 HG22 THR A 109 -14.424 0.469 6.231 1.00 0.00 H new ATOM 0 HG23 THR A 109 -15.125 0.461 4.595 1.00 0.00 H new ATOM 1723 N GLU A 110 -11.907 -0.770 6.552 1.00 0.00 N ATOM 1724 CA GLU A 110 -10.965 0.150 7.169 1.00 0.00 C ATOM 1725 C GLU A 110 -9.730 0.319 6.282 1.00 0.00 C ATOM 1726 O GLU A 110 -9.363 1.439 5.931 1.00 0.00 O ATOM 1727 CB GLU A 110 -10.573 -0.325 8.569 1.00 0.00 C ATOM 1728 CG GLU A 110 -11.694 -0.051 9.575 1.00 0.00 C ATOM 1729 CD GLU A 110 -11.129 0.485 10.892 1.00 0.00 C ATOM 1730 OE1 GLU A 110 -10.067 1.140 10.830 1.00 0.00 O ATOM 1731 OE2 GLU A 110 -11.773 0.227 11.932 1.00 0.00 O ATOM 0 H GLU A 110 -12.208 -1.539 7.151 1.00 0.00 H new ATOM 0 HA GLU A 110 -11.450 1.121 7.272 1.00 0.00 H new ATOM 0 HB2 GLU A 110 -10.353 -1.392 8.546 1.00 0.00 H new ATOM 0 HB3 GLU A 110 -9.662 0.182 8.887 1.00 0.00 H new ATOM 0 HG2 GLU A 110 -12.396 0.670 9.156 1.00 0.00 H new ATOM 0 HG3 GLU A 110 -12.253 -0.968 9.761 1.00 0.00 H new ATOM 1738 N TRP A 111 -9.124 -0.810 5.944 1.00 0.00 N ATOM 1739 CA TRP A 111 -7.938 -0.800 5.105 1.00 0.00 C ATOM 1740 C TRP A 111 -8.199 0.144 3.929 1.00 0.00 C ATOM 1741 O TRP A 111 -7.444 1.090 3.708 1.00 0.00 O ATOM 1742 CB TRP A 111 -7.568 -2.217 4.663 1.00 0.00 C ATOM 1743 CG TRP A 111 -6.470 -2.865 5.509 1.00 0.00 C ATOM 1744 CD1 TRP A 111 -6.591 -3.865 6.393 1.00 0.00 C ATOM 1745 CD2 TRP A 111 -5.069 -2.517 5.513 1.00 0.00 C ATOM 1746 NE1 TRP A 111 -5.377 -4.184 6.965 1.00 0.00 N ATOM 1747 CE2 TRP A 111 -4.422 -3.338 6.413 1.00 0.00 C ATOM 1748 CE3 TRP A 111 -4.372 -1.539 4.781 1.00 0.00 C ATOM 1749 CZ2 TRP A 111 -3.046 -3.267 6.665 1.00 0.00 C ATOM 1750 CZ3 TRP A 111 -2.999 -1.480 5.044 1.00 0.00 C ATOM 1751 CH2 TRP A 111 -2.332 -2.300 5.947 1.00 0.00 C ATOM 0 H TRP A 111 -9.432 -1.737 6.236 1.00 0.00 H new ATOM 0 HA TRP A 111 -7.075 -0.434 5.661 1.00 0.00 H new ATOM 0 HB2 TRP A 111 -8.459 -2.843 4.701 1.00 0.00 H new ATOM 0 HB3 TRP A 111 -7.243 -2.189 3.623 1.00 0.00 H new ATOM 0 HD1 TRP A 111 -7.522 -4.359 6.628 1.00 0.00 H new ATOM 0 HE1 TRP A 111 -5.211 -4.908 7.664 1.00 0.00 H new ATOM 0 HE3 TRP A 111 -4.858 -0.885 4.072 1.00 0.00 H new ATOM 0 HZ2 TRP A 111 -2.562 -3.922 7.374 1.00 0.00 H new ATOM 0 HZ3 TRP A 111 -2.416 -0.746 4.508 1.00 0.00 H new ATOM 0 HH2 TRP A 111 -1.268 -2.192 6.094 1.00 0.00 H new ATOM 1762 N ILE A 112 -9.270 -0.146 3.205 1.00 0.00 N ATOM 1763 CA ILE A 112 -9.639 0.665 2.057 1.00 0.00 C ATOM 1764 C ILE A 112 -9.513 2.145 2.422 1.00 0.00 C ATOM 1765 O ILE A 112 -8.708 2.867 1.835 1.00 0.00 O ATOM 1766 CB ILE A 112 -11.028 0.273 1.549 1.00 0.00 C ATOM 1767 CG1 ILE A 112 -10.936 -0.844 0.507 1.00 0.00 C ATOM 1768 CG2 ILE A 112 -11.781 1.493 1.015 1.00 0.00 C ATOM 1769 CD1 ILE A 112 -11.833 -2.024 0.888 1.00 0.00 C ATOM 0 H ILE A 112 -9.894 -0.931 3.391 1.00 0.00 H new ATOM 0 HA ILE A 112 -8.957 0.482 1.226 1.00 0.00 H new ATOM 0 HB ILE A 112 -11.601 -0.117 2.390 1.00 0.00 H new ATOM 0 HG12 ILE A 112 -11.229 -0.460 -0.470 1.00 0.00 H new ATOM 0 HG13 ILE A 112 -9.903 -1.181 0.420 1.00 0.00 H new ATOM 0 HG21 ILE A 112 -12.765 1.187 0.660 1.00 0.00 H new ATOM 0 HG22 ILE A 112 -11.895 2.228 1.812 1.00 0.00 H new ATOM 0 HG23 ILE A 112 -11.220 1.935 0.192 1.00 0.00 H new ATOM 0 HD11 ILE A 112 -11.749 -2.804 0.131 1.00 0.00 H new ATOM 0 HD12 ILE A 112 -11.521 -2.421 1.854 1.00 0.00 H new ATOM 0 HD13 ILE A 112 -12.868 -1.689 0.950 1.00 0.00 H new ATOM 1781 N LYS A 113 -10.320 2.554 3.390 1.00 0.00 N ATOM 1782 CA LYS A 113 -10.309 3.935 3.841 1.00 0.00 C ATOM 1783 C LYS A 113 -8.899 4.304 4.306 1.00 0.00 C ATOM 1784 O LYS A 113 -8.501 5.465 4.233 1.00 0.00 O ATOM 1785 CB LYS A 113 -11.386 4.161 4.903 1.00 0.00 C ATOM 1786 CG LYS A 113 -12.698 3.479 4.508 1.00 0.00 C ATOM 1787 CD LYS A 113 -13.884 4.103 5.246 1.00 0.00 C ATOM 1788 CE LYS A 113 -14.746 3.027 5.908 1.00 0.00 C ATOM 1789 NZ LYS A 113 -15.725 3.642 6.832 1.00 0.00 N ATOM 0 H LYS A 113 -10.986 1.953 3.875 1.00 0.00 H new ATOM 0 HA LYS A 113 -10.560 4.606 3.019 1.00 0.00 H new ATOM 0 HB2 LYS A 113 -11.044 3.771 5.862 1.00 0.00 H new ATOM 0 HB3 LYS A 113 -11.553 5.230 5.035 1.00 0.00 H new ATOM 0 HG2 LYS A 113 -12.848 3.566 3.432 1.00 0.00 H new ATOM 0 HG3 LYS A 113 -12.642 2.415 4.737 1.00 0.00 H new ATOM 0 HD2 LYS A 113 -13.521 4.799 6.002 1.00 0.00 H new ATOM 0 HD3 LYS A 113 -14.489 4.680 4.547 1.00 0.00 H new ATOM 0 HE2 LYS A 113 -15.270 2.452 5.144 1.00 0.00 H new ATOM 0 HE3 LYS A 113 -14.111 2.329 6.454 1.00 0.00 H new ATOM 0 HZ1 LYS A 113 -16.302 2.897 7.273 1.00 0.00 H new ATOM 0 HZ2 LYS A 113 -15.220 4.171 7.571 1.00 0.00 H new ATOM 0 HZ3 LYS A 113 -16.342 4.290 6.303 1.00 0.00 H new ATOM 1803 N ALA A 114 -8.182 3.293 4.775 1.00 0.00 N ATOM 1804 CA ALA A 114 -6.825 3.496 5.253 1.00 0.00 C ATOM 1805 C ALA A 114 -5.921 3.854 4.071 1.00 0.00 C ATOM 1806 O ALA A 114 -5.241 4.879 4.092 1.00 0.00 O ATOM 1807 CB ALA A 114 -6.351 2.244 5.992 1.00 0.00 C ATOM 0 H ALA A 114 -8.516 2.331 4.834 1.00 0.00 H new ATOM 0 HA ALA A 114 -6.787 4.325 5.960 1.00 0.00 H new ATOM 0 HB1 ALA A 114 -5.333 2.397 6.350 1.00 0.00 H new ATOM 0 HB2 ALA A 114 -7.009 2.051 6.839 1.00 0.00 H new ATOM 0 HB3 ALA A 114 -6.373 1.391 5.314 1.00 0.00 H new ATOM 1813 N ILE A 115 -5.943 2.988 3.068 1.00 0.00 N ATOM 1814 CA ILE A 115 -5.134 3.200 1.880 1.00 0.00 C ATOM 1815 C ILE A 115 -5.527 4.528 1.230 1.00 0.00 C ATOM 1816 O ILE A 115 -4.664 5.289 0.794 1.00 0.00 O ATOM 1817 CB ILE A 115 -5.242 1.999 0.937 1.00 0.00 C ATOM 1818 CG1 ILE A 115 -4.624 0.750 1.568 1.00 0.00 C ATOM 1819 CG2 ILE A 115 -4.627 2.316 -0.427 1.00 0.00 C ATOM 1820 CD1 ILE A 115 -5.612 -0.418 1.554 1.00 0.00 C ATOM 0 H ILE A 115 -6.508 2.139 3.054 1.00 0.00 H new ATOM 0 HA ILE A 115 -4.080 3.274 2.146 1.00 0.00 H new ATOM 0 HB ILE A 115 -6.299 1.788 0.772 1.00 0.00 H new ATOM 0 HG12 ILE A 115 -3.720 0.473 1.025 1.00 0.00 H new ATOM 0 HG13 ILE A 115 -4.326 0.966 2.594 1.00 0.00 H new ATOM 0 HG21 ILE A 115 -4.717 1.446 -1.078 1.00 0.00 H new ATOM 0 HG22 ILE A 115 -5.151 3.160 -0.875 1.00 0.00 H new ATOM 0 HG23 ILE A 115 -3.574 2.568 -0.302 1.00 0.00 H new ATOM 0 HD11 ILE A 115 -5.147 -1.293 2.008 1.00 0.00 H new ATOM 0 HD12 ILE A 115 -6.504 -0.147 2.118 1.00 0.00 H new ATOM 0 HD13 ILE A 115 -5.889 -0.648 0.525 1.00 0.00 H new ATOM 1832 N GLN A 116 -6.830 4.766 1.186 1.00 0.00 N ATOM 1833 CA GLN A 116 -7.347 5.989 0.597 1.00 0.00 C ATOM 1834 C GLN A 116 -6.763 7.210 1.310 1.00 0.00 C ATOM 1835 O GLN A 116 -6.218 8.107 0.667 1.00 0.00 O ATOM 1836 CB GLN A 116 -8.876 6.012 0.635 1.00 0.00 C ATOM 1837 CG GLN A 116 -9.460 4.765 -0.032 1.00 0.00 C ATOM 1838 CD GLN A 116 -10.355 5.143 -1.214 1.00 0.00 C ATOM 1839 OE1 GLN A 116 -11.415 4.354 -1.364 1.00 0.00 O flip ATOM 1840 NE2 GLN A 116 -10.100 6.089 -1.941 1.00 0.00 N flip ATOM 0 H GLN A 116 -7.543 4.133 1.549 1.00 0.00 H new ATOM 0 HA GLN A 116 -7.041 6.023 -0.449 1.00 0.00 H new ATOM 0 HB2 GLN A 116 -9.217 6.069 1.669 1.00 0.00 H new ATOM 0 HB3 GLN A 116 -9.243 6.905 0.129 1.00 0.00 H new ATOM 0 HG2 GLN A 116 -8.652 4.120 -0.375 1.00 0.00 H new ATOM 0 HG3 GLN A 116 -10.036 4.194 0.697 1.00 0.00 H new ATOM 0 HE21 GLN A 116 -9.269 6.654 -1.769 1.00 0.00 H new ATOM 0 HE22 GLN A 116 -10.718 6.314 -2.720 1.00 0.00 H new ATOM 1849 N MET A 117 -6.896 7.206 2.628 1.00 0.00 N ATOM 1850 CA MET A 117 -6.388 8.302 3.435 1.00 0.00 C ATOM 1851 C MET A 117 -4.979 8.701 2.993 1.00 0.00 C ATOM 1852 O MET A 117 -4.669 9.887 2.890 1.00 0.00 O ATOM 1853 CB MET A 117 -6.363 7.884 4.907 1.00 0.00 C ATOM 1854 CG MET A 117 -4.938 7.921 5.462 1.00 0.00 C ATOM 1855 SD MET A 117 -4.961 7.621 7.222 1.00 0.00 S ATOM 1856 CE MET A 117 -5.747 6.019 7.253 1.00 0.00 C ATOM 0 H MET A 117 -7.348 6.461 3.157 1.00 0.00 H new ATOM 0 HA MET A 117 -7.046 9.161 3.304 1.00 0.00 H new ATOM 0 HB2 MET A 117 -7.001 8.549 5.489 1.00 0.00 H new ATOM 0 HB3 MET A 117 -6.772 6.879 5.011 1.00 0.00 H new ATOM 0 HG2 MET A 117 -4.325 7.169 4.964 1.00 0.00 H new ATOM 0 HG3 MET A 117 -4.483 8.890 5.256 1.00 0.00 H new ATOM 0 HE1 MET A 117 -5.560 5.540 8.214 1.00 0.00 H new ATOM 0 HE2 MET A 117 -6.821 6.138 7.110 1.00 0.00 H new ATOM 0 HE3 MET A 117 -5.341 5.399 6.454 1.00 0.00 H new ATOM 1866 N ALA A 118 -4.162 7.688 2.744 1.00 0.00 N ATOM 1867 CA ALA A 118 -2.793 7.918 2.316 1.00 0.00 C ATOM 1868 C ALA A 118 -2.788 8.348 0.847 1.00 0.00 C ATOM 1869 O ALA A 118 -2.338 9.445 0.519 1.00 0.00 O ATOM 1870 CB ALA A 118 -1.963 6.655 2.557 1.00 0.00 C ATOM 0 H ALA A 118 -4.422 6.706 2.831 1.00 0.00 H new ATOM 0 HA ALA A 118 -2.339 8.721 2.896 1.00 0.00 H new ATOM 0 HB1 ALA A 118 -0.936 6.828 2.236 1.00 0.00 H new ATOM 0 HB2 ALA A 118 -1.975 6.409 3.619 1.00 0.00 H new ATOM 0 HB3 ALA A 118 -2.387 5.827 1.988 1.00 0.00 H new ATOM 1876 N SER A 119 -3.293 7.461 0.003 1.00 0.00 N ATOM 1877 CA SER A 119 -3.353 7.735 -1.423 1.00 0.00 C ATOM 1878 C SER A 119 -3.916 9.137 -1.664 1.00 0.00 C ATOM 1879 O SER A 119 -3.579 9.783 -2.655 1.00 0.00 O ATOM 1880 CB SER A 119 -4.202 6.690 -2.150 1.00 0.00 C ATOM 1881 OG SER A 119 -5.590 6.837 -1.864 1.00 0.00 O ATOM 0 H SER A 119 -3.664 6.552 0.279 1.00 0.00 H new ATOM 0 HA SER A 119 -2.340 7.683 -1.823 1.00 0.00 H new ATOM 0 HB2 SER A 119 -4.042 6.777 -3.225 1.00 0.00 H new ATOM 0 HB3 SER A 119 -3.876 5.692 -1.859 1.00 0.00 H new ATOM 0 HG SER A 119 -5.700 7.272 -0.993 1.00 0.00 H new ATOM 1887 N ARG A 120 -4.764 9.566 -0.741 1.00 0.00 N ATOM 1888 CA ARG A 120 -5.377 10.879 -0.840 1.00 0.00 C ATOM 1889 C ARG A 120 -4.301 11.965 -0.884 1.00 0.00 C ATOM 1890 O ARG A 120 -4.507 13.025 -1.473 1.00 0.00 O ATOM 1891 CB ARG A 120 -6.310 11.143 0.344 1.00 0.00 C ATOM 1892 CG ARG A 120 -7.696 10.546 0.093 1.00 0.00 C ATOM 1893 CD ARG A 120 -8.483 11.390 -0.913 1.00 0.00 C ATOM 1894 NE ARG A 120 -9.820 10.796 -1.136 1.00 0.00 N ATOM 1895 CZ ARG A 120 -10.046 9.726 -1.911 1.00 0.00 C ATOM 1896 NH1 ARG A 120 -9.027 9.127 -2.540 1.00 0.00 N ATOM 1897 NH2 ARG A 120 -11.293 9.256 -2.056 1.00 0.00 N ATOM 0 H ARG A 120 -5.041 9.027 0.079 1.00 0.00 H new ATOM 0 HA ARG A 120 -5.961 10.903 -1.760 1.00 0.00 H new ATOM 0 HB2 ARG A 120 -5.884 10.713 1.250 1.00 0.00 H new ATOM 0 HB3 ARG A 120 -6.397 12.217 0.511 1.00 0.00 H new ATOM 0 HG2 ARG A 120 -7.595 9.528 -0.282 1.00 0.00 H new ATOM 0 HG3 ARG A 120 -8.246 10.487 1.032 1.00 0.00 H new ATOM 0 HD2 ARG A 120 -8.586 12.410 -0.542 1.00 0.00 H new ATOM 0 HD3 ARG A 120 -7.940 11.447 -1.856 1.00 0.00 H new ATOM 0 HE ARG A 120 -10.619 11.228 -0.671 1.00 0.00 H new ATOM 0 HH11 ARG A 120 -8.078 9.485 -2.429 1.00 0.00 H new ATOM 0 HH12 ARG A 120 -9.199 8.313 -3.130 1.00 0.00 H new ATOM 0 HH21 ARG A 120 -12.069 9.713 -1.577 1.00 0.00 H new ATOM 0 HH22 ARG A 120 -11.466 8.442 -2.646 1.00 0.00 H new