USER MOD reduce.3.24.130724 H: found=0, std=0, add=705, rem=0, adj=15 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 107:sc= 0.877 USER MOD Set 1.2: A 64 HIS : no HE2:sc= -11.4! C(o=-11!,f=-13!) USER MOD Single : A 20 LYS NZ :NH3+ -161:sc= 0.661 (180deg=-0.406) USER MOD Single : A 21 GLN : amide:sc= -4.08! C(o=-4.1!,f=-10!) 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= -0.111 X(o=-0.11,f=-0.59) USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= -0.424 (180deg=-0.424) USER MOD Single : A 49 HIS : no HD1:sc= -6.76! C(o=-6.8!,f=-7.7!) USER MOD Single : A 50 TYR OH : rot 180:sc= -0.111 USER MOD Single : A 51 TYR OH : rot 180:sc= 1.01 USER MOD Single : A 68 CYS SG : rot 130:sc= -3.7 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= -0.714 K(o=-0.71,f=-0.081) USER MOD Single : A 92 THR OG1 : rot 148:sc= -1.11 USER MOD Single : A 97 HIS : no HD1:sc= -5.85! C(o=-5.8!,f=-6.3!) USER MOD Single : A 98 TYR OH : rot 30:sc= -0.296 USER MOD Single : A 101 GLN : amide:sc= -0.0671 X(o=-0.067,f=-0.067) USER MOD Single : A 104 THR OG1 : rot 180:sc= 0.0304 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= -2.28 K(o=-2.3,f=-1.7) USER MOD Single : A 117 MET CE :methyl 161:sc= -2.97! (180deg=-3.77!) USER MOD Single : A 119 SER OG : rot -31:sc= -0.687 USER MOD ----------------------------------------------------------------- ATOM 223 N VAL A 17 4.927 8.716 7.599 1.00 0.00 N ATOM 224 CA VAL A 17 4.509 8.016 8.801 1.00 0.00 C ATOM 225 C VAL A 17 3.562 6.877 8.420 1.00 0.00 C ATOM 226 O VAL A 17 3.120 6.789 7.275 1.00 0.00 O ATOM 227 CB VAL A 17 3.889 9.003 9.793 1.00 0.00 C ATOM 228 CG1 VAL A 17 2.387 9.156 9.547 1.00 0.00 C ATOM 229 CG2 VAL A 17 4.168 8.578 11.236 1.00 0.00 C ATOM 0 HA VAL A 17 5.369 7.570 9.301 1.00 0.00 H new ATOM 0 HB VAL A 17 4.355 9.975 9.634 1.00 0.00 H new ATOM 0 HG11 VAL A 17 1.971 9.863 10.265 1.00 0.00 H new ATOM 0 HG12 VAL A 17 2.220 9.526 8.535 1.00 0.00 H new ATOM 0 HG13 VAL A 17 1.899 8.189 9.665 1.00 0.00 H new ATOM 0 HG21 VAL A 17 3.717 9.296 11.921 1.00 0.00 H new ATOM 0 HG22 VAL A 17 3.742 7.591 11.413 1.00 0.00 H new ATOM 0 HG23 VAL A 17 5.244 8.544 11.404 1.00 0.00 H new ATOM 239 N ILE A 18 3.277 6.033 9.401 1.00 0.00 N ATOM 240 CA ILE A 18 2.389 4.903 9.183 1.00 0.00 C ATOM 241 C ILE A 18 0.971 5.284 9.611 1.00 0.00 C ATOM 242 O ILE A 18 0.767 6.316 10.250 1.00 0.00 O ATOM 243 CB ILE A 18 2.929 3.655 9.884 1.00 0.00 C ATOM 244 CG1 ILE A 18 4.319 3.289 9.359 1.00 0.00 C ATOM 245 CG2 ILE A 18 1.945 2.490 9.763 1.00 0.00 C ATOM 246 CD1 ILE A 18 5.133 2.557 10.428 1.00 0.00 C ATOM 0 H ILE A 18 3.645 6.109 10.349 1.00 0.00 H new ATOM 0 HA ILE A 18 2.345 4.652 8.123 1.00 0.00 H new ATOM 0 HB ILE A 18 3.035 3.878 10.946 1.00 0.00 H new ATOM 0 HG12 ILE A 18 4.223 2.659 8.475 1.00 0.00 H new ATOM 0 HG13 ILE A 18 4.845 4.193 9.051 1.00 0.00 H new ATOM 0 HG21 ILE A 18 2.353 1.615 10.270 1.00 0.00 H new ATOM 0 HG22 ILE A 18 0.996 2.766 10.223 1.00 0.00 H new ATOM 0 HG23 ILE A 18 1.784 2.257 8.710 1.00 0.00 H new ATOM 0 HD11 ILE A 18 6.117 2.308 10.029 1.00 0.00 H new ATOM 0 HD12 ILE A 18 5.247 3.199 11.301 1.00 0.00 H new ATOM 0 HD13 ILE A 18 4.616 1.642 10.716 1.00 0.00 H new ATOM 258 N ILE A 19 0.026 4.432 9.241 1.00 0.00 N ATOM 259 CA ILE A 19 -1.367 4.666 9.578 1.00 0.00 C ATOM 260 C ILE A 19 -2.027 3.337 9.952 1.00 0.00 C ATOM 261 O ILE A 19 -2.761 3.260 10.936 1.00 0.00 O ATOM 262 CB ILE A 19 -2.076 5.407 8.443 1.00 0.00 C ATOM 263 CG1 ILE A 19 -1.593 4.911 7.079 1.00 0.00 C ATOM 264 CG2 ILE A 19 -1.916 6.921 8.592 1.00 0.00 C ATOM 265 CD1 ILE A 19 -0.426 5.759 6.569 1.00 0.00 C ATOM 0 H ILE A 19 0.199 3.578 8.711 1.00 0.00 H new ATOM 0 HA ILE A 19 -1.444 5.317 10.449 1.00 0.00 H new ATOM 0 HB ILE A 19 -3.142 5.189 8.506 1.00 0.00 H new ATOM 0 HG12 ILE A 19 -1.283 3.869 7.156 1.00 0.00 H new ATOM 0 HG13 ILE A 19 -2.414 4.948 6.363 1.00 0.00 H new ATOM 0 HG21 ILE A 19 -2.429 7.424 7.772 1.00 0.00 H new ATOM 0 HG22 ILE A 19 -2.347 7.241 9.541 1.00 0.00 H new ATOM 0 HG23 ILE A 19 -0.857 7.179 8.569 1.00 0.00 H new ATOM 0 HD11 ILE A 19 -0.102 5.385 5.598 1.00 0.00 H new ATOM 0 HD12 ILE A 19 -0.746 6.796 6.470 1.00 0.00 H new ATOM 0 HD13 ILE A 19 0.402 5.700 7.275 1.00 0.00 H new ATOM 277 N LYS A 20 -1.743 2.324 9.147 1.00 0.00 N ATOM 278 CA LYS A 20 -2.299 1.003 9.381 1.00 0.00 C ATOM 279 C LYS A 20 -1.214 -0.051 9.154 1.00 0.00 C ATOM 280 O LYS A 20 -0.314 0.146 8.339 1.00 0.00 O ATOM 281 CB LYS A 20 -3.551 0.790 8.528 1.00 0.00 C ATOM 282 CG LYS A 20 -4.139 -0.604 8.755 1.00 0.00 C ATOM 283 CD LYS A 20 -5.668 -0.567 8.720 1.00 0.00 C ATOM 284 CE LYS A 20 -6.258 -1.927 9.096 1.00 0.00 C ATOM 285 NZ LYS A 20 -7.736 -1.890 9.020 1.00 0.00 N ATOM 0 H LYS A 20 -1.134 2.392 8.331 1.00 0.00 H new ATOM 0 HA LYS A 20 -2.626 0.906 10.416 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -4.296 1.547 8.774 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -3.303 0.917 7.474 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -3.771 -1.287 7.989 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -3.803 -0.992 9.717 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -6.033 0.195 9.409 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -6.006 -0.283 7.723 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -5.873 -2.695 8.425 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -5.947 -2.199 10.105 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -8.132 -2.680 9.569 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -8.081 -0.990 9.410 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -8.035 -1.975 8.027 1.00 0.00 H new ATOM 299 N GLN A 21 -1.334 -1.147 9.889 1.00 0.00 N ATOM 300 CA GLN A 21 -0.374 -2.232 9.777 1.00 0.00 C ATOM 301 C GLN A 21 -1.030 -3.561 10.158 1.00 0.00 C ATOM 302 O GLN A 21 -2.059 -3.580 10.831 1.00 0.00 O ATOM 303 CB GLN A 21 0.860 -1.962 10.640 1.00 0.00 C ATOM 304 CG GLN A 21 1.744 -0.884 10.010 1.00 0.00 C ATOM 305 CD GLN A 21 3.022 -0.677 10.825 1.00 0.00 C ATOM 306 OE1 GLN A 21 4.071 -1.228 10.534 1.00 0.00 O ATOM 307 NE2 GLN A 21 2.876 0.145 11.861 1.00 0.00 N ATOM 0 H GLN A 21 -2.081 -1.307 10.564 1.00 0.00 H new ATOM 0 HA GLN A 21 -0.045 -2.296 8.740 1.00 0.00 H new ATOM 0 HB2 GLN A 21 0.550 -1.647 11.636 1.00 0.00 H new ATOM 0 HB3 GLN A 21 1.432 -2.882 10.761 1.00 0.00 H new ATOM 0 HG2 GLN A 21 2.001 -1.170 8.990 1.00 0.00 H new ATOM 0 HG3 GLN A 21 1.192 0.054 9.948 1.00 0.00 H new ATOM 0 HE21 GLN A 21 1.969 0.573 12.048 1.00 0.00 H new ATOM 0 HE22 GLN A 21 3.671 0.347 12.468 1.00 0.00 H new ATOM 316 N GLY A 22 -0.406 -4.641 9.711 1.00 0.00 N ATOM 317 CA GLY A 22 -0.915 -5.972 9.996 1.00 0.00 C ATOM 318 C GLY A 22 -0.501 -6.962 8.906 1.00 0.00 C ATOM 319 O GLY A 22 0.417 -6.693 8.133 1.00 0.00 O ATOM 0 H GLY A 22 0.448 -4.621 9.153 1.00 0.00 H new ATOM 0 HA2 GLY A 22 -0.539 -6.310 10.961 1.00 0.00 H new ATOM 0 HA3 GLY A 22 -2.002 -5.941 10.071 1.00 0.00 H new ATOM 323 N CYS A 23 -1.198 -8.089 8.879 1.00 0.00 N ATOM 324 CA CYS A 23 -0.915 -9.121 7.897 1.00 0.00 C ATOM 325 C CYS A 23 -2.123 -9.243 6.965 1.00 0.00 C ATOM 326 O CYS A 23 -3.264 -9.100 7.401 1.00 0.00 O ATOM 327 CB CYS A 23 -0.571 -10.455 8.562 1.00 0.00 C ATOM 328 SG CYS A 23 1.148 -10.418 9.188 1.00 0.00 S ATOM 0 H CYS A 23 -1.958 -8.310 9.522 1.00 0.00 H new ATOM 0 HA CYS A 23 -0.036 -8.842 7.316 1.00 0.00 H new ATOM 0 HB2 CYS A 23 -1.261 -10.650 9.383 1.00 0.00 H new ATOM 0 HB3 CYS A 23 -0.689 -11.269 7.846 1.00 0.00 H new ATOM 0 HG CYS A 23 1.429 -11.555 9.753 1.00 0.00 H new ATOM 334 N LEU A 24 -1.829 -9.505 5.700 1.00 0.00 N ATOM 335 CA LEU A 24 -2.877 -9.648 4.704 1.00 0.00 C ATOM 336 C LEU A 24 -2.532 -10.809 3.769 1.00 0.00 C ATOM 337 O LEU A 24 -1.405 -11.303 3.777 1.00 0.00 O ATOM 338 CB LEU A 24 -3.109 -8.322 3.977 1.00 0.00 C ATOM 339 CG LEU A 24 -3.800 -7.224 4.788 1.00 0.00 C ATOM 340 CD1 LEU A 24 -3.970 -5.952 3.955 1.00 0.00 C ATOM 341 CD2 LEU A 24 -5.131 -7.719 5.357 1.00 0.00 C ATOM 0 H LEU A 24 -0.881 -9.622 5.342 1.00 0.00 H new ATOM 0 HA LEU A 24 -3.825 -9.894 5.182 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -2.145 -7.943 3.638 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -3.706 -8.518 3.086 1.00 0.00 H new ATOM 0 HG LEU A 24 -3.162 -6.971 5.635 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -4.464 -5.187 4.555 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -2.991 -5.590 3.640 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -4.576 -6.171 3.076 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -5.602 -6.920 5.929 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -5.788 -8.016 4.540 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -4.953 -8.575 6.008 1.00 0.00 H new ATOM 353 N LEU A 25 -3.522 -11.211 2.986 1.00 0.00 N ATOM 354 CA LEU A 25 -3.337 -12.305 2.048 1.00 0.00 C ATOM 355 C LEU A 25 -3.282 -11.747 0.625 1.00 0.00 C ATOM 356 O LEU A 25 -4.317 -11.468 0.023 1.00 0.00 O ATOM 357 CB LEU A 25 -4.416 -13.372 2.249 1.00 0.00 C ATOM 358 CG LEU A 25 -4.633 -13.844 3.688 1.00 0.00 C ATOM 359 CD1 LEU A 25 -3.404 -14.590 4.211 1.00 0.00 C ATOM 360 CD2 LEU A 25 -5.023 -12.675 4.595 1.00 0.00 C ATOM 0 H LEU A 25 -4.455 -10.799 2.982 1.00 0.00 H new ATOM 0 HA LEU A 25 -2.387 -12.807 2.231 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -5.360 -12.981 1.870 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -4.161 -14.238 1.638 1.00 0.00 H new ATOM 0 HG LEU A 25 -5.465 -14.549 3.695 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -3.584 -14.915 5.236 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -3.212 -15.460 3.583 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -2.539 -13.927 4.187 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -5.171 -13.037 5.612 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -4.229 -11.928 4.588 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -5.947 -12.225 4.232 1.00 0.00 H new ATOM 372 N LYS A 26 -2.062 -11.601 0.128 1.00 0.00 N ATOM 373 CA LYS A 26 -1.858 -11.081 -1.213 1.00 0.00 C ATOM 374 C LYS A 26 -1.879 -12.238 -2.213 1.00 0.00 C ATOM 375 O LYS A 26 -1.168 -13.227 -2.039 1.00 0.00 O ATOM 376 CB LYS A 26 -0.582 -10.239 -1.274 1.00 0.00 C ATOM 377 CG LYS A 26 -0.406 -9.607 -2.656 1.00 0.00 C ATOM 378 CD LYS A 26 1.042 -9.166 -2.877 1.00 0.00 C ATOM 379 CE LYS A 26 1.873 -10.295 -3.488 1.00 0.00 C ATOM 380 NZ LYS A 26 3.212 -10.352 -2.860 1.00 0.00 N ATOM 0 H LYS A 26 -1.205 -11.834 0.630 1.00 0.00 H new ATOM 0 HA LYS A 26 -2.670 -10.407 -1.487 1.00 0.00 H new ATOM 0 HB2 LYS A 26 -0.622 -9.457 -0.515 1.00 0.00 H new ATOM 0 HB3 LYS A 26 0.281 -10.863 -1.043 1.00 0.00 H new ATOM 0 HG2 LYS A 26 -0.694 -10.323 -3.426 1.00 0.00 H new ATOM 0 HG3 LYS A 26 -1.070 -8.749 -2.754 1.00 0.00 H new ATOM 0 HD2 LYS A 26 1.065 -8.297 -3.534 1.00 0.00 H new ATOM 0 HD3 LYS A 26 1.481 -8.859 -1.928 1.00 0.00 H new ATOM 0 HE2 LYS A 26 1.360 -11.247 -3.351 1.00 0.00 H new ATOM 0 HE3 LYS A 26 1.975 -10.139 -4.562 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 3.763 -11.124 -3.287 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 3.706 -9.449 -3.012 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 3.110 -10.523 -1.839 1.00 0.00 H new ATOM 394 N GLN A 27 -2.702 -12.077 -3.239 1.00 0.00 N ATOM 395 CA GLN A 27 -2.825 -13.097 -4.267 1.00 0.00 C ATOM 396 C GLN A 27 -1.773 -12.881 -5.357 1.00 0.00 C ATOM 397 O GLN A 27 -1.571 -11.758 -5.817 1.00 0.00 O ATOM 398 CB GLN A 27 -4.235 -13.110 -4.861 1.00 0.00 C ATOM 399 CG GLN A 27 -4.980 -14.390 -4.478 1.00 0.00 C ATOM 400 CD GLN A 27 -5.096 -15.336 -5.675 1.00 0.00 C ATOM 401 OE1 GLN A 27 -4.282 -15.331 -6.584 1.00 0.00 O ATOM 402 NE2 GLN A 27 -6.151 -16.145 -5.625 1.00 0.00 N ATOM 0 H GLN A 27 -3.290 -11.256 -3.380 1.00 0.00 H new ATOM 0 HA GLN A 27 -2.651 -14.070 -3.808 1.00 0.00 H new ATOM 0 HB2 GLN A 27 -4.791 -12.242 -4.507 1.00 0.00 H new ATOM 0 HB3 GLN A 27 -4.177 -13.030 -5.946 1.00 0.00 H new ATOM 0 HG2 GLN A 27 -4.456 -14.890 -3.664 1.00 0.00 H new ATOM 0 HG3 GLN A 27 -5.975 -14.140 -4.110 1.00 0.00 H new ATOM 0 HE21 GLN A 27 -6.794 -16.097 -4.834 1.00 0.00 H new ATOM 0 HE22 GLN A 27 -6.317 -16.813 -6.377 1.00 0.00 H new ATOM 543 N LYS A 35 -1.415 -16.742 0.766 1.00 0.00 N ATOM 544 CA LYS A 35 -0.252 -16.648 1.632 1.00 0.00 C ATOM 545 C LYS A 35 -0.436 -15.480 2.602 1.00 0.00 C ATOM 546 O LYS A 35 -1.207 -14.560 2.332 1.00 0.00 O ATOM 547 CB LYS A 35 1.029 -16.561 0.800 1.00 0.00 C ATOM 548 CG LYS A 35 1.905 -17.798 1.011 1.00 0.00 C ATOM 549 CD LYS A 35 2.587 -18.216 -0.293 1.00 0.00 C ATOM 550 CE LYS A 35 4.091 -17.940 -0.237 1.00 0.00 C ATOM 551 NZ LYS A 35 4.598 -17.559 -1.575 1.00 0.00 N ATOM 0 HA LYS A 35 -0.152 -17.550 2.235 1.00 0.00 H new ATOM 0 HB2 LYS A 35 0.775 -16.466 -0.256 1.00 0.00 H new ATOM 0 HB3 LYS A 35 1.586 -15.665 1.076 1.00 0.00 H new ATOM 0 HG2 LYS A 35 2.660 -17.589 1.769 1.00 0.00 H new ATOM 0 HG3 LYS A 35 1.295 -18.620 1.386 1.00 0.00 H new ATOM 0 HD2 LYS A 35 2.415 -19.277 -0.474 1.00 0.00 H new ATOM 0 HD3 LYS A 35 2.145 -17.674 -1.129 1.00 0.00 H new ATOM 0 HE2 LYS A 35 4.294 -17.141 0.476 1.00 0.00 H new ATOM 0 HE3 LYS A 35 4.616 -18.826 0.119 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 5.620 -17.375 -1.520 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 4.421 -18.333 -2.247 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 4.109 -16.701 -1.900 1.00 0.00 H new ATOM 565 N VAL A 36 0.285 -15.554 3.711 1.00 0.00 N ATOM 566 CA VAL A 36 0.211 -14.513 4.722 1.00 0.00 C ATOM 567 C VAL A 36 1.461 -13.635 4.637 1.00 0.00 C ATOM 568 O VAL A 36 2.581 -14.143 4.613 1.00 0.00 O ATOM 569 CB VAL A 36 0.015 -15.140 6.104 1.00 0.00 C ATOM 570 CG1 VAL A 36 0.501 -14.198 7.208 1.00 0.00 C ATOM 571 CG2 VAL A 36 -1.447 -15.534 6.325 1.00 0.00 C ATOM 0 H VAL A 36 0.923 -16.319 3.932 1.00 0.00 H new ATOM 0 HA VAL A 36 -0.651 -13.870 4.545 1.00 0.00 H new ATOM 0 HB VAL A 36 0.617 -16.047 6.148 1.00 0.00 H new ATOM 0 HG11 VAL A 36 0.350 -14.668 8.180 1.00 0.00 H new ATOM 0 HG12 VAL A 36 1.561 -13.988 7.067 1.00 0.00 H new ATOM 0 HG13 VAL A 36 -0.062 -13.266 7.165 1.00 0.00 H new ATOM 0 HG21 VAL A 36 -1.559 -15.977 7.315 1.00 0.00 H new ATOM 0 HG22 VAL A 36 -2.078 -14.648 6.251 1.00 0.00 H new ATOM 0 HG23 VAL A 36 -1.747 -16.258 5.567 1.00 0.00 H new ATOM 581 N ARG A 37 1.227 -12.331 4.593 1.00 0.00 N ATOM 582 CA ARG A 37 2.320 -11.378 4.511 1.00 0.00 C ATOM 583 C ARG A 37 1.974 -10.105 5.287 1.00 0.00 C ATOM 584 O ARG A 37 0.802 -9.760 5.429 1.00 0.00 O ATOM 585 CB ARG A 37 2.625 -11.013 3.056 1.00 0.00 C ATOM 586 CG ARG A 37 3.566 -12.037 2.419 1.00 0.00 C ATOM 587 CD ARG A 37 5.029 -11.641 2.628 1.00 0.00 C ATOM 588 NE ARG A 37 5.911 -12.795 2.344 1.00 0.00 N ATOM 589 CZ ARG A 37 6.193 -13.241 1.112 1.00 0.00 C ATOM 590 NH1 ARG A 37 5.663 -12.632 0.042 1.00 0.00 N ATOM 591 NH2 ARG A 37 7.003 -14.295 0.949 1.00 0.00 N ATOM 0 H ARG A 37 0.297 -11.913 4.613 1.00 0.00 H new ATOM 0 HA ARG A 37 3.202 -11.846 4.949 1.00 0.00 H new ATOM 0 HB2 ARG A 37 1.696 -10.964 2.487 1.00 0.00 H new ATOM 0 HB3 ARG A 37 3.077 -10.022 3.013 1.00 0.00 H new ATOM 0 HG2 ARG A 37 3.386 -13.021 2.853 1.00 0.00 H new ATOM 0 HG3 ARG A 37 3.356 -12.116 1.352 1.00 0.00 H new ATOM 0 HD2 ARG A 37 5.286 -10.807 1.975 1.00 0.00 H new ATOM 0 HD3 ARG A 37 5.180 -11.301 3.653 1.00 0.00 H new ATOM 0 HE ARG A 37 6.331 -13.282 3.136 1.00 0.00 H new ATOM 0 HH11 ARG A 37 5.045 -11.830 0.166 1.00 0.00 H new ATOM 0 HH12 ARG A 37 5.877 -12.971 -0.896 1.00 0.00 H new ATOM 0 HH21 ARG A 37 7.406 -14.759 1.763 1.00 0.00 H new ATOM 0 HH22 ARG A 37 7.217 -14.634 0.011 1.00 0.00 H new ATOM 605 N LYS A 38 3.015 -9.442 5.768 1.00 0.00 N ATOM 606 CA LYS A 38 2.836 -8.216 6.526 1.00 0.00 C ATOM 607 C LYS A 38 2.697 -7.039 5.558 1.00 0.00 C ATOM 608 O LYS A 38 3.397 -6.975 4.549 1.00 0.00 O ATOM 609 CB LYS A 38 3.966 -8.045 7.544 1.00 0.00 C ATOM 610 CG LYS A 38 3.931 -6.650 8.172 1.00 0.00 C ATOM 611 CD LYS A 38 4.248 -6.714 9.668 1.00 0.00 C ATOM 612 CE LYS A 38 4.798 -5.378 10.169 1.00 0.00 C ATOM 613 NZ LYS A 38 6.278 -5.385 10.146 1.00 0.00 N ATOM 0 H LYS A 38 3.986 -9.731 5.647 1.00 0.00 H new ATOM 0 HA LYS A 38 1.917 -8.260 7.110 1.00 0.00 H new ATOM 0 HB2 LYS A 38 3.875 -8.801 8.324 1.00 0.00 H new ATOM 0 HB3 LYS A 38 4.927 -8.204 7.056 1.00 0.00 H new ATOM 0 HG2 LYS A 38 4.652 -6.004 7.671 1.00 0.00 H new ATOM 0 HG3 LYS A 38 2.947 -6.205 8.024 1.00 0.00 H new ATOM 0 HD2 LYS A 38 3.346 -6.972 10.224 1.00 0.00 H new ATOM 0 HD3 LYS A 38 4.975 -7.504 9.856 1.00 0.00 H new ATOM 0 HE2 LYS A 38 4.423 -4.567 9.545 1.00 0.00 H new ATOM 0 HE3 LYS A 38 4.445 -5.190 11.183 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 6.635 -4.470 10.489 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 6.631 -6.147 10.760 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 6.609 -5.543 9.173 1.00 0.00 H new ATOM 627 N PHE A 39 1.789 -6.137 5.900 1.00 0.00 N ATOM 628 CA PHE A 39 1.549 -4.966 5.074 1.00 0.00 C ATOM 629 C PHE A 39 1.524 -3.692 5.921 1.00 0.00 C ATOM 630 O PHE A 39 0.794 -3.614 6.908 1.00 0.00 O ATOM 631 CB PHE A 39 0.180 -5.154 4.417 1.00 0.00 C ATOM 632 CG PHE A 39 0.231 -5.872 3.067 1.00 0.00 C ATOM 633 CD1 PHE A 39 0.451 -5.163 1.927 1.00 0.00 C ATOM 634 CD2 PHE A 39 0.058 -7.220 3.007 1.00 0.00 C ATOM 635 CE1 PHE A 39 0.498 -5.830 0.674 1.00 0.00 C ATOM 636 CE2 PHE A 39 0.105 -7.886 1.754 1.00 0.00 C ATOM 637 CZ PHE A 39 0.324 -7.177 0.614 1.00 0.00 C ATOM 0 H PHE A 39 1.210 -6.193 6.738 1.00 0.00 H new ATOM 0 HA PHE A 39 2.344 -4.863 4.336 1.00 0.00 H new ATOM 0 HB2 PHE A 39 -0.462 -5.719 5.093 1.00 0.00 H new ATOM 0 HB3 PHE A 39 -0.283 -4.177 4.280 1.00 0.00 H new ATOM 0 HD1 PHE A 39 0.590 -4.093 1.975 1.00 0.00 H new ATOM 0 HD2 PHE A 39 -0.115 -7.783 3.912 1.00 0.00 H new ATOM 0 HE1 PHE A 39 0.672 -5.267 -0.231 1.00 0.00 H new ATOM 0 HE2 PHE A 39 -0.033 -8.956 1.706 1.00 0.00 H new ATOM 0 HZ PHE A 39 0.360 -7.684 -0.339 1.00 0.00 H new ATOM 647 N ILE A 40 2.331 -2.727 5.506 1.00 0.00 N ATOM 648 CA ILE A 40 2.410 -1.461 6.215 1.00 0.00 C ATOM 649 C ILE A 40 2.043 -0.323 5.260 1.00 0.00 C ATOM 650 O ILE A 40 2.582 -0.234 4.158 1.00 0.00 O ATOM 651 CB ILE A 40 3.785 -1.297 6.866 1.00 0.00 C ATOM 652 CG1 ILE A 40 4.112 -2.492 7.765 1.00 0.00 C ATOM 653 CG2 ILE A 40 3.879 0.030 7.621 1.00 0.00 C ATOM 654 CD1 ILE A 40 5.567 -2.442 8.235 1.00 0.00 C ATOM 0 H ILE A 40 2.936 -2.796 4.688 1.00 0.00 H new ATOM 0 HA ILE A 40 1.690 -1.437 7.033 1.00 0.00 H new ATOM 0 HB ILE A 40 4.536 -1.273 6.076 1.00 0.00 H new ATOM 0 HG12 ILE A 40 3.447 -2.495 8.629 1.00 0.00 H new ATOM 0 HG13 ILE A 40 3.933 -3.420 7.222 1.00 0.00 H new ATOM 0 HG21 ILE A 40 4.866 0.122 8.074 1.00 0.00 H new ATOM 0 HG22 ILE A 40 3.720 0.855 6.927 1.00 0.00 H new ATOM 0 HG23 ILE A 40 3.118 0.060 8.400 1.00 0.00 H new ATOM 0 HD11 ILE A 40 5.773 -3.302 8.872 1.00 0.00 H new ATOM 0 HD12 ILE A 40 6.230 -2.464 7.370 1.00 0.00 H new ATOM 0 HD13 ILE A 40 5.736 -1.524 8.798 1.00 0.00 H new ATOM 666 N LEU A 41 1.127 0.518 5.718 1.00 0.00 N ATOM 667 CA LEU A 41 0.681 1.646 4.919 1.00 0.00 C ATOM 668 C LEU A 41 1.234 2.941 5.519 1.00 0.00 C ATOM 669 O LEU A 41 1.187 3.137 6.733 1.00 0.00 O ATOM 670 CB LEU A 41 -0.843 1.635 4.779 1.00 0.00 C ATOM 671 CG LEU A 41 -1.464 2.861 4.107 1.00 0.00 C ATOM 672 CD1 LEU A 41 -1.284 2.803 2.588 1.00 0.00 C ATOM 673 CD2 LEU A 41 -2.933 3.019 4.504 1.00 0.00 C ATOM 0 H LEU A 41 0.682 0.440 6.632 1.00 0.00 H new ATOM 0 HA LEU A 41 1.072 1.572 3.904 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -1.129 0.750 4.211 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -1.278 1.531 5.773 1.00 0.00 H new ATOM 0 HG LEU A 41 -0.938 3.748 4.461 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -1.734 3.686 2.134 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -0.221 2.774 2.348 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -1.768 1.908 2.198 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -3.350 3.898 4.013 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -3.490 2.133 4.198 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -3.007 3.138 5.585 1.00 0.00 H new ATOM 685 N ARG A 42 1.745 3.791 4.641 1.00 0.00 N ATOM 686 CA ARG A 42 2.306 5.062 5.069 1.00 0.00 C ATOM 687 C ARG A 42 1.814 6.191 4.162 1.00 0.00 C ATOM 688 O ARG A 42 1.910 6.097 2.939 1.00 0.00 O ATOM 689 CB ARG A 42 3.835 5.025 5.042 1.00 0.00 C ATOM 690 CG ARG A 42 4.362 3.710 5.622 1.00 0.00 C ATOM 691 CD ARG A 42 5.779 3.883 6.173 1.00 0.00 C ATOM 692 NE ARG A 42 6.253 2.609 6.759 1.00 0.00 N ATOM 693 CZ ARG A 42 6.767 1.599 6.045 1.00 0.00 C ATOM 694 NH1 ARG A 42 6.878 1.708 4.714 1.00 0.00 N ATOM 695 NH2 ARG A 42 7.172 0.480 6.662 1.00 0.00 N ATOM 0 H ARG A 42 1.783 3.625 3.635 1.00 0.00 H new ATOM 0 HA ARG A 42 1.976 5.243 6.092 1.00 0.00 H new ATOM 0 HB2 ARG A 42 4.187 5.142 4.017 1.00 0.00 H new ATOM 0 HB3 ARG A 42 4.233 5.864 5.613 1.00 0.00 H new ATOM 0 HG2 ARG A 42 3.699 3.367 6.416 1.00 0.00 H new ATOM 0 HG3 ARG A 42 4.360 2.941 4.850 1.00 0.00 H new ATOM 0 HD2 ARG A 42 6.452 4.199 5.376 1.00 0.00 H new ATOM 0 HD3 ARG A 42 5.791 4.668 6.930 1.00 0.00 H new ATOM 0 HE ARG A 42 6.184 2.493 7.770 1.00 0.00 H new ATOM 0 HH11 ARG A 42 6.571 2.560 4.245 1.00 0.00 H new ATOM 0 HH12 ARG A 42 7.269 0.939 4.170 1.00 0.00 H new ATOM 0 HH21 ARG A 42 7.089 0.398 7.675 1.00 0.00 H new ATOM 0 HH22 ARG A 42 7.563 -0.289 6.118 1.00 0.00 H new ATOM 709 N GLU A 43 1.299 7.234 4.796 1.00 0.00 N ATOM 710 CA GLU A 43 0.792 8.381 4.061 1.00 0.00 C ATOM 711 C GLU A 43 1.779 9.546 4.149 1.00 0.00 C ATOM 712 O GLU A 43 2.349 9.804 5.208 1.00 0.00 O ATOM 713 CB GLU A 43 -0.590 8.793 4.573 1.00 0.00 C ATOM 714 CG GLU A 43 -0.529 9.203 6.046 1.00 0.00 C ATOM 715 CD GLU A 43 -0.777 10.704 6.209 1.00 0.00 C ATOM 716 OE1 GLU A 43 -1.900 11.133 5.866 1.00 0.00 O ATOM 717 OE2 GLU A 43 0.161 11.387 6.672 1.00 0.00 O ATOM 0 H GLU A 43 1.222 7.309 5.810 1.00 0.00 H new ATOM 0 HA GLU A 43 0.686 8.099 3.014 1.00 0.00 H new ATOM 0 HB2 GLU A 43 -0.970 9.622 3.976 1.00 0.00 H new ATOM 0 HB3 GLU A 43 -1.289 7.965 4.451 1.00 0.00 H new ATOM 0 HG2 GLU A 43 -1.273 8.644 6.614 1.00 0.00 H new ATOM 0 HG3 GLU A 43 0.446 8.945 6.459 1.00 0.00 H new ATOM 724 N ASP A 44 1.952 10.220 3.021 1.00 0.00 N ATOM 725 CA ASP A 44 2.861 11.352 2.957 1.00 0.00 C ATOM 726 C ASP A 44 4.248 10.914 3.432 1.00 0.00 C ATOM 727 O ASP A 44 4.651 11.223 4.552 1.00 0.00 O ATOM 728 CB ASP A 44 2.388 12.490 3.864 1.00 0.00 C ATOM 729 CG ASP A 44 2.713 13.897 3.359 1.00 0.00 C ATOM 730 OD1 ASP A 44 3.911 14.251 3.397 1.00 0.00 O ATOM 731 OD2 ASP A 44 1.756 14.586 2.945 1.00 0.00 O ATOM 0 H ASP A 44 1.478 10.004 2.144 1.00 0.00 H new ATOM 0 HA ASP A 44 2.892 11.702 1.925 1.00 0.00 H new ATOM 0 HB2 ASP A 44 1.309 12.407 3.993 1.00 0.00 H new ATOM 0 HB3 ASP A 44 2.838 12.361 4.848 1.00 0.00 H new ATOM 736 N PRO A 45 4.959 10.182 2.533 1.00 0.00 N ATOM 737 CA PRO A 45 4.408 9.860 1.228 1.00 0.00 C ATOM 738 C PRO A 45 3.348 8.762 1.336 1.00 0.00 C ATOM 739 O PRO A 45 3.187 8.151 2.392 1.00 0.00 O ATOM 740 CB PRO A 45 5.605 9.449 0.386 1.00 0.00 C ATOM 741 CG PRO A 45 6.711 9.109 1.372 1.00 0.00 C ATOM 742 CD PRO A 45 6.301 9.644 2.734 1.00 0.00 C ATOM 0 HA PRO A 45 3.887 10.702 0.772 1.00 0.00 H new ATOM 0 HB2 PRO A 45 5.365 8.591 -0.242 1.00 0.00 H new ATOM 0 HB3 PRO A 45 5.910 10.256 -0.280 1.00 0.00 H new ATOM 0 HG2 PRO A 45 6.865 8.031 1.416 1.00 0.00 H new ATOM 0 HG3 PRO A 45 7.655 9.553 1.055 1.00 0.00 H new ATOM 0 HD2 PRO A 45 6.303 8.855 3.486 1.00 0.00 H new ATOM 0 HD3 PRO A 45 6.989 10.415 3.080 1.00 0.00 H new ATOM 750 N ALA A 46 2.653 8.544 0.229 1.00 0.00 N ATOM 751 CA ALA A 46 1.613 7.530 0.186 1.00 0.00 C ATOM 752 C ALA A 46 2.172 6.258 -0.455 1.00 0.00 C ATOM 753 O ALA A 46 2.206 6.139 -1.679 1.00 0.00 O ATOM 754 CB ALA A 46 0.398 8.076 -0.566 1.00 0.00 C ATOM 0 H ALA A 46 2.790 9.052 -0.645 1.00 0.00 H new ATOM 0 HA ALA A 46 1.285 7.274 1.194 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -0.382 7.315 -0.598 1.00 0.00 H new ATOM 0 HB2 ALA A 46 0.021 8.961 -0.054 1.00 0.00 H new ATOM 0 HB3 ALA A 46 0.688 8.341 -1.583 1.00 0.00 H new ATOM 760 N TYR A 47 2.598 5.340 0.400 1.00 0.00 N ATOM 761 CA TYR A 47 3.154 4.082 -0.068 1.00 0.00 C ATOM 762 C TYR A 47 2.775 2.933 0.869 1.00 0.00 C ATOM 763 O TYR A 47 2.538 3.148 2.056 1.00 0.00 O ATOM 764 CB TYR A 47 4.673 4.260 -0.050 1.00 0.00 C ATOM 765 CG TYR A 47 5.248 4.832 -1.347 1.00 0.00 C ATOM 766 CD1 TYR A 47 5.176 4.100 -2.515 1.00 0.00 C ATOM 767 CD2 TYR A 47 5.839 6.079 -1.349 1.00 0.00 C ATOM 768 CE1 TYR A 47 5.718 4.638 -3.736 1.00 0.00 C ATOM 769 CE2 TYR A 47 6.380 6.617 -2.571 1.00 0.00 C ATOM 770 CZ TYR A 47 6.293 5.870 -3.704 1.00 0.00 C ATOM 771 OH TYR A 47 6.804 6.378 -4.857 1.00 0.00 O ATOM 0 H TYR A 47 2.569 5.442 1.414 1.00 0.00 H new ATOM 0 HA TYR A 47 2.774 3.839 -1.060 1.00 0.00 H new ATOM 0 HB2 TYR A 47 4.942 4.919 0.776 1.00 0.00 H new ATOM 0 HB3 TYR A 47 5.139 3.295 0.147 1.00 0.00 H new ATOM 0 HD1 TYR A 47 4.713 3.124 -2.513 1.00 0.00 H new ATOM 0 HD2 TYR A 47 5.896 6.651 -0.435 1.00 0.00 H new ATOM 0 HE1 TYR A 47 5.669 4.076 -4.657 1.00 0.00 H new ATOM 0 HE2 TYR A 47 6.844 7.592 -2.587 1.00 0.00 H new ATOM 0 HH TYR A 47 6.219 7.091 -5.188 1.00 0.00 H new ATOM 781 N LEU A 48 2.732 1.737 0.299 1.00 0.00 N ATOM 782 CA LEU A 48 2.386 0.554 1.069 1.00 0.00 C ATOM 783 C LEU A 48 3.501 -0.485 0.926 1.00 0.00 C ATOM 784 O LEU A 48 3.697 -1.045 -0.151 1.00 0.00 O ATOM 785 CB LEU A 48 1.006 0.035 0.663 1.00 0.00 C ATOM 786 CG LEU A 48 0.684 -1.404 1.071 1.00 0.00 C ATOM 787 CD1 LEU A 48 1.521 -2.402 0.269 1.00 0.00 C ATOM 788 CD2 LEU A 48 0.851 -1.597 2.579 1.00 0.00 C ATOM 0 H LEU A 48 2.931 1.562 -0.686 1.00 0.00 H new ATOM 0 HA LEU A 48 2.310 0.797 2.129 1.00 0.00 H new ATOM 0 HB2 LEU A 48 0.251 0.692 1.095 1.00 0.00 H new ATOM 0 HB3 LEU A 48 0.914 0.114 -0.420 1.00 0.00 H new ATOM 0 HG LEU A 48 -0.362 -1.599 0.836 1.00 0.00 H new ATOM 0 HD11 LEU A 48 1.272 -3.417 0.579 1.00 0.00 H new ATOM 0 HD12 LEU A 48 1.308 -2.284 -0.794 1.00 0.00 H new ATOM 0 HD13 LEU A 48 2.580 -2.217 0.449 1.00 0.00 H new ATOM 0 HD21 LEU A 48 0.616 -2.628 2.842 1.00 0.00 H new ATOM 0 HD22 LEU A 48 1.880 -1.376 2.862 1.00 0.00 H new ATOM 0 HD23 LEU A 48 0.176 -0.925 3.109 1.00 0.00 H new ATOM 800 N HIS A 49 4.201 -0.710 2.028 1.00 0.00 N ATOM 801 CA HIS A 49 5.290 -1.672 2.039 1.00 0.00 C ATOM 802 C HIS A 49 4.849 -2.938 2.777 1.00 0.00 C ATOM 803 O HIS A 49 4.107 -2.864 3.755 1.00 0.00 O ATOM 804 CB HIS A 49 6.557 -1.051 2.632 1.00 0.00 C ATOM 805 CG HIS A 49 7.146 0.058 1.794 1.00 0.00 C ATOM 806 ND1 HIS A 49 6.628 1.342 1.778 1.00 0.00 N ATOM 807 CD2 HIS A 49 8.214 0.064 0.946 1.00 0.00 C ATOM 808 CE1 HIS A 49 7.359 2.078 0.954 1.00 0.00 C ATOM 809 NE2 HIS A 49 8.341 1.284 0.439 1.00 0.00 N ATOM 0 H HIS A 49 4.035 -0.243 2.919 1.00 0.00 H new ATOM 0 HA HIS A 49 5.539 -1.957 1.017 1.00 0.00 H new ATOM 0 HB2 HIS A 49 6.328 -0.661 3.624 1.00 0.00 H new ATOM 0 HB3 HIS A 49 7.306 -1.832 2.761 1.00 0.00 H new ATOM 0 HD2 HIS A 49 8.849 -0.781 0.724 1.00 0.00 H new ATOM 0 HE1 HIS A 49 7.204 3.123 0.730 1.00 0.00 H new ATOM 0 HE2 HIS A 49 9.056 1.579 -0.226 1.00 0.00 H new ATOM 817 N TYR A 50 5.325 -4.070 2.279 1.00 0.00 N ATOM 818 CA TYR A 50 4.989 -5.350 2.878 1.00 0.00 C ATOM 819 C TYR A 50 6.248 -6.181 3.138 1.00 0.00 C ATOM 820 O TYR A 50 7.111 -6.294 2.270 1.00 0.00 O ATOM 821 CB TYR A 50 4.115 -6.078 1.856 1.00 0.00 C ATOM 822 CG TYR A 50 4.648 -6.014 0.423 1.00 0.00 C ATOM 823 CD1 TYR A 50 4.473 -4.870 -0.328 1.00 0.00 C ATOM 824 CD2 TYR A 50 5.304 -7.101 -0.118 1.00 0.00 C ATOM 825 CE1 TYR A 50 4.975 -4.810 -1.676 1.00 0.00 C ATOM 826 CE2 TYR A 50 5.806 -7.041 -1.467 1.00 0.00 C ATOM 827 CZ TYR A 50 5.617 -5.898 -2.179 1.00 0.00 C ATOM 828 OH TYR A 50 6.091 -5.841 -3.452 1.00 0.00 O ATOM 0 H TYR A 50 5.940 -4.127 1.468 1.00 0.00 H new ATOM 0 HA TYR A 50 4.483 -5.206 3.833 1.00 0.00 H new ATOM 0 HB2 TYR A 50 4.022 -7.123 2.152 1.00 0.00 H new ATOM 0 HB3 TYR A 50 3.113 -5.650 1.879 1.00 0.00 H new ATOM 0 HD1 TYR A 50 3.959 -4.019 0.095 1.00 0.00 H new ATOM 0 HD2 TYR A 50 5.441 -7.997 0.470 1.00 0.00 H new ATOM 0 HE1 TYR A 50 4.845 -3.920 -2.274 1.00 0.00 H new ATOM 0 HE2 TYR A 50 6.321 -7.885 -1.903 1.00 0.00 H new ATOM 0 HH TYR A 50 6.527 -6.689 -3.677 1.00 0.00 H new ATOM 838 N TYR A 51 6.312 -6.739 4.338 1.00 0.00 N ATOM 839 CA TYR A 51 7.450 -7.556 4.723 1.00 0.00 C ATOM 840 C TYR A 51 7.012 -8.982 5.064 1.00 0.00 C ATOM 841 O TYR A 51 5.837 -9.227 5.331 1.00 0.00 O ATOM 842 CB TYR A 51 8.034 -6.901 5.977 1.00 0.00 C ATOM 843 CG TYR A 51 8.265 -5.395 5.842 1.00 0.00 C ATOM 844 CD1 TYR A 51 7.192 -4.527 5.874 1.00 0.00 C ATOM 845 CD2 TYR A 51 9.545 -4.904 5.689 1.00 0.00 C ATOM 846 CE1 TYR A 51 7.409 -3.109 5.747 1.00 0.00 C ATOM 847 CE2 TYR A 51 9.762 -3.486 5.562 1.00 0.00 C ATOM 848 CZ TYR A 51 8.683 -2.658 5.597 1.00 0.00 C ATOM 849 OH TYR A 51 8.888 -1.319 5.478 1.00 0.00 O ATOM 0 H TYR A 51 5.594 -6.641 5.056 1.00 0.00 H new ATOM 0 HA TYR A 51 8.171 -7.617 3.908 1.00 0.00 H new ATOM 0 HB2 TYR A 51 7.361 -7.081 6.815 1.00 0.00 H new ATOM 0 HB3 TYR A 51 8.981 -7.383 6.219 1.00 0.00 H new ATOM 0 HD1 TYR A 51 6.190 -4.911 5.994 1.00 0.00 H new ATOM 0 HD2 TYR A 51 10.384 -5.583 5.664 1.00 0.00 H new ATOM 0 HE1 TYR A 51 6.578 -2.419 5.770 1.00 0.00 H new ATOM 0 HE2 TYR A 51 10.759 -3.089 5.442 1.00 0.00 H new ATOM 0 HH TYR A 51 9.847 -1.142 5.379 1.00 0.00 H new ATOM 859 N ASP A 52 7.981 -9.885 5.044 1.00 0.00 N ATOM 860 CA ASP A 52 7.710 -11.280 5.347 1.00 0.00 C ATOM 861 C ASP A 52 7.434 -11.427 6.845 1.00 0.00 C ATOM 862 O ASP A 52 8.120 -10.824 7.669 1.00 0.00 O ATOM 863 CB ASP A 52 8.911 -12.163 4.999 1.00 0.00 C ATOM 864 CG ASP A 52 8.708 -13.658 5.250 1.00 0.00 C ATOM 865 OD1 ASP A 52 8.947 -14.077 6.404 1.00 0.00 O ATOM 866 OD2 ASP A 52 8.319 -14.349 4.284 1.00 0.00 O ATOM 0 H ASP A 52 8.955 -9.678 4.823 1.00 0.00 H new ATOM 0 HA ASP A 52 6.849 -11.593 4.756 1.00 0.00 H new ATOM 0 HB2 ASP A 52 9.158 -12.017 3.947 1.00 0.00 H new ATOM 0 HB3 ASP A 52 9.771 -11.826 5.578 1.00 0.00 H new ATOM 871 N PRO A 53 6.401 -12.254 7.160 1.00 0.00 N ATOM 872 CA PRO A 53 6.026 -12.488 8.544 1.00 0.00 C ATOM 873 C PRO A 53 7.026 -13.418 9.234 1.00 0.00 C ATOM 874 O PRO A 53 7.488 -13.130 10.337 1.00 0.00 O ATOM 875 CB PRO A 53 4.623 -13.070 8.478 1.00 0.00 C ATOM 876 CG PRO A 53 4.446 -13.571 7.054 1.00 0.00 C ATOM 877 CD PRO A 53 5.567 -12.986 6.211 1.00 0.00 C ATOM 0 HA PRO A 53 6.038 -11.577 9.142 1.00 0.00 H new ATOM 0 HB2 PRO A 53 4.503 -13.882 9.195 1.00 0.00 H new ATOM 0 HB3 PRO A 53 3.875 -12.315 8.722 1.00 0.00 H new ATOM 0 HG2 PRO A 53 4.476 -14.660 7.026 1.00 0.00 H new ATOM 0 HG3 PRO A 53 3.475 -13.269 6.661 1.00 0.00 H new ATOM 0 HD2 PRO A 53 6.134 -13.769 5.708 1.00 0.00 H new ATOM 0 HD3 PRO A 53 5.177 -12.326 5.436 1.00 0.00 H new ATOM 885 N ALA A 54 7.331 -14.515 8.556 1.00 0.00 N ATOM 886 CA ALA A 54 8.268 -15.488 9.090 1.00 0.00 C ATOM 887 C ALA A 54 9.525 -14.765 9.579 1.00 0.00 C ATOM 888 O ALA A 54 10.209 -15.244 10.482 1.00 0.00 O ATOM 889 CB ALA A 54 8.578 -16.538 8.021 1.00 0.00 C ATOM 0 H ALA A 54 6.946 -14.751 7.642 1.00 0.00 H new ATOM 0 HA ALA A 54 7.835 -16.009 9.944 1.00 0.00 H new ATOM 0 HB1 ALA A 54 9.281 -17.268 8.421 1.00 0.00 H new ATOM 0 HB2 ALA A 54 7.657 -17.043 7.729 1.00 0.00 H new ATOM 0 HB3 ALA A 54 9.017 -16.052 7.150 1.00 0.00 H new ATOM 895 N GLY A 55 9.791 -13.624 8.961 1.00 0.00 N ATOM 896 CA GLY A 55 10.953 -12.830 9.322 1.00 0.00 C ATOM 897 C GLY A 55 11.640 -12.267 8.076 1.00 0.00 C ATOM 898 O GLY A 55 11.607 -12.882 7.012 1.00 0.00 O ATOM 0 H GLY A 55 9.221 -13.230 8.212 1.00 0.00 H new ATOM 0 HA2 GLY A 55 10.650 -12.012 9.976 1.00 0.00 H new ATOM 0 HA3 GLY A 55 11.657 -13.444 9.884 1.00 0.00 H new ATOM 902 N ALA A 56 12.247 -11.102 8.251 1.00 0.00 N ATOM 903 CA ALA A 56 12.941 -10.448 7.154 1.00 0.00 C ATOM 904 C ALA A 56 13.561 -9.142 7.655 1.00 0.00 C ATOM 905 O ALA A 56 13.560 -8.870 8.855 1.00 0.00 O ATOM 906 CB ALA A 56 11.969 -10.226 5.994 1.00 0.00 C ATOM 0 H ALA A 56 12.273 -10.594 9.135 1.00 0.00 H new ATOM 0 HA ALA A 56 13.751 -11.076 6.783 1.00 0.00 H new ATOM 0 HB1 ALA A 56 12.490 -9.736 5.172 1.00 0.00 H new ATOM 0 HB2 ALA A 56 11.580 -11.187 5.656 1.00 0.00 H new ATOM 0 HB3 ALA A 56 11.143 -9.597 6.327 1.00 0.00 H new ATOM 912 N GLU A 57 14.074 -8.367 6.711 1.00 0.00 N ATOM 913 CA GLU A 57 14.695 -7.096 7.041 1.00 0.00 C ATOM 914 C GLU A 57 14.142 -5.986 6.144 1.00 0.00 C ATOM 915 O GLU A 57 13.453 -5.085 6.619 1.00 0.00 O ATOM 916 CB GLU A 57 16.218 -7.184 6.928 1.00 0.00 C ATOM 917 CG GLU A 57 16.785 -8.191 7.931 1.00 0.00 C ATOM 918 CD GLU A 57 18.313 -8.223 7.872 1.00 0.00 C ATOM 919 OE1 GLU A 57 18.926 -7.390 8.574 1.00 0.00 O ATOM 920 OE2 GLU A 57 18.835 -9.079 7.125 1.00 0.00 O ATOM 0 H GLU A 57 14.072 -8.595 5.717 1.00 0.00 H new ATOM 0 HA GLU A 57 14.454 -6.854 8.076 1.00 0.00 H new ATOM 0 HB2 GLU A 57 16.495 -7.479 5.916 1.00 0.00 H new ATOM 0 HB3 GLU A 57 16.657 -6.202 7.105 1.00 0.00 H new ATOM 0 HG2 GLU A 57 16.462 -7.928 8.938 1.00 0.00 H new ATOM 0 HG3 GLU A 57 16.389 -9.184 7.718 1.00 0.00 H new ATOM 927 N ASP A 58 14.465 -6.089 4.863 1.00 0.00 N ATOM 928 CA ASP A 58 14.009 -5.105 3.896 1.00 0.00 C ATOM 929 C ASP A 58 12.621 -5.500 3.389 1.00 0.00 C ATOM 930 O ASP A 58 12.228 -6.662 3.484 1.00 0.00 O ATOM 931 CB ASP A 58 14.951 -5.039 2.692 1.00 0.00 C ATOM 932 CG ASP A 58 15.463 -6.393 2.197 1.00 0.00 C ATOM 933 OD1 ASP A 58 16.414 -6.904 2.826 1.00 0.00 O ATOM 934 OD2 ASP A 58 14.893 -6.886 1.200 1.00 0.00 O ATOM 0 H ASP A 58 15.037 -6.838 4.473 1.00 0.00 H new ATOM 0 HA ASP A 58 13.985 -4.133 4.389 1.00 0.00 H new ATOM 0 HB2 ASP A 58 14.434 -4.541 1.872 1.00 0.00 H new ATOM 0 HB3 ASP A 58 15.807 -4.417 2.953 1.00 0.00 H new ATOM 939 N PRO A 59 11.896 -4.484 2.847 1.00 0.00 N ATOM 940 CA PRO A 59 10.560 -4.714 2.325 1.00 0.00 C ATOM 941 C PRO A 59 10.614 -5.439 0.979 1.00 0.00 C ATOM 942 O PRO A 59 11.449 -5.123 0.133 1.00 0.00 O ATOM 943 CB PRO A 59 9.932 -3.333 2.231 1.00 0.00 C ATOM 944 CG PRO A 59 11.088 -2.346 2.261 1.00 0.00 C ATOM 945 CD PRO A 59 12.328 -3.096 2.718 1.00 0.00 C ATOM 0 HA PRO A 59 9.965 -5.365 2.965 1.00 0.00 H new ATOM 0 HB2 PRO A 59 9.353 -3.229 1.313 1.00 0.00 H new ATOM 0 HB3 PRO A 59 9.247 -3.158 3.061 1.00 0.00 H new ATOM 0 HG2 PRO A 59 11.246 -1.913 1.273 1.00 0.00 H new ATOM 0 HG3 PRO A 59 10.869 -1.521 2.939 1.00 0.00 H new ATOM 0 HD2 PRO A 59 13.138 -2.999 1.995 1.00 0.00 H new ATOM 0 HD3 PRO A 59 12.699 -2.707 3.666 1.00 0.00 H new ATOM 953 N LEU A 60 9.713 -6.398 0.823 1.00 0.00 N ATOM 954 CA LEU A 60 9.648 -7.171 -0.406 1.00 0.00 C ATOM 955 C LEU A 60 9.377 -6.229 -1.582 1.00 0.00 C ATOM 956 O LEU A 60 9.571 -6.602 -2.738 1.00 0.00 O ATOM 957 CB LEU A 60 8.625 -8.301 -0.275 1.00 0.00 C ATOM 958 CG LEU A 60 8.879 -9.308 0.849 1.00 0.00 C ATOM 959 CD1 LEU A 60 7.579 -9.656 1.577 1.00 0.00 C ATOM 960 CD2 LEU A 60 9.590 -10.554 0.319 1.00 0.00 C ATOM 0 H LEU A 60 9.022 -6.657 1.527 1.00 0.00 H new ATOM 0 HA LEU A 60 10.603 -7.658 -0.601 1.00 0.00 H new ATOM 0 HB2 LEU A 60 7.641 -7.858 -0.123 1.00 0.00 H new ATOM 0 HB3 LEU A 60 8.588 -8.843 -1.220 1.00 0.00 H new ATOM 0 HG LEU A 60 9.543 -8.845 1.579 1.00 0.00 H new ATOM 0 HD11 LEU A 60 7.787 -10.373 2.371 1.00 0.00 H new ATOM 0 HD12 LEU A 60 7.150 -8.752 2.008 1.00 0.00 H new ATOM 0 HD13 LEU A 60 6.872 -10.092 0.871 1.00 0.00 H new ATOM 0 HD21 LEU A 60 9.758 -11.253 1.138 1.00 0.00 H new ATOM 0 HD22 LEU A 60 8.972 -11.029 -0.442 1.00 0.00 H new ATOM 0 HD23 LEU A 60 10.547 -10.269 -0.117 1.00 0.00 H new ATOM 972 N GLY A 61 8.932 -5.027 -1.245 1.00 0.00 N ATOM 973 CA GLY A 61 8.632 -4.030 -2.259 1.00 0.00 C ATOM 974 C GLY A 61 7.751 -2.917 -1.688 1.00 0.00 C ATOM 975 O GLY A 61 7.729 -2.696 -0.478 1.00 0.00 O ATOM 0 H GLY A 61 8.772 -4.721 -0.285 1.00 0.00 H new ATOM 0 HA2 GLY A 61 9.560 -3.604 -2.642 1.00 0.00 H new ATOM 0 HA3 GLY A 61 8.127 -4.503 -3.101 1.00 0.00 H new ATOM 979 N ALA A 62 7.047 -2.244 -2.587 1.00 0.00 N ATOM 980 CA ALA A 62 6.167 -1.159 -2.188 1.00 0.00 C ATOM 981 C ALA A 62 5.166 -0.881 -3.311 1.00 0.00 C ATOM 982 O ALA A 62 5.475 -1.077 -4.485 1.00 0.00 O ATOM 983 CB ALA A 62 7.003 0.073 -1.834 1.00 0.00 C ATOM 0 H ALA A 62 7.068 -2.429 -3.590 1.00 0.00 H new ATOM 0 HA ALA A 62 5.598 -1.433 -1.300 1.00 0.00 H new ATOM 0 HB1 ALA A 62 6.343 0.887 -1.535 1.00 0.00 H new ATOM 0 HB2 ALA A 62 7.677 -0.169 -1.012 1.00 0.00 H new ATOM 0 HB3 ALA A 62 7.586 0.379 -2.703 1.00 0.00 H new ATOM 989 N ILE A 63 3.986 -0.429 -2.911 1.00 0.00 N ATOM 990 CA ILE A 63 2.938 -0.122 -3.869 1.00 0.00 C ATOM 991 C ILE A 63 2.678 1.386 -3.868 1.00 0.00 C ATOM 992 O ILE A 63 2.257 1.946 -2.857 1.00 0.00 O ATOM 993 CB ILE A 63 1.691 -0.961 -3.586 1.00 0.00 C ATOM 994 CG1 ILE A 63 2.061 -2.423 -3.326 1.00 0.00 C ATOM 995 CG2 ILE A 63 0.668 -0.822 -4.715 1.00 0.00 C ATOM 996 CD1 ILE A 63 0.875 -3.194 -2.744 1.00 0.00 C ATOM 0 H ILE A 63 3.733 -0.268 -1.936 1.00 0.00 H new ATOM 0 HA ILE A 63 3.253 -0.391 -4.877 1.00 0.00 H new ATOM 0 HB ILE A 63 1.223 -0.580 -2.678 1.00 0.00 H new ATOM 0 HG12 ILE A 63 2.382 -2.891 -4.256 1.00 0.00 H new ATOM 0 HG13 ILE A 63 2.904 -2.471 -2.637 1.00 0.00 H new ATOM 0 HG21 ILE A 63 -0.209 -1.429 -4.488 1.00 0.00 H new ATOM 0 HG22 ILE A 63 0.372 0.223 -4.811 1.00 0.00 H new ATOM 0 HG23 ILE A 63 1.111 -1.161 -5.651 1.00 0.00 H new ATOM 0 HD11 ILE A 63 1.165 -4.230 -2.569 1.00 0.00 H new ATOM 0 HD12 ILE A 63 0.572 -2.738 -1.802 1.00 0.00 H new ATOM 0 HD13 ILE A 63 0.042 -3.164 -3.446 1.00 0.00 H new ATOM 1008 N HIS A 64 2.938 2.000 -5.013 1.00 0.00 N ATOM 1009 CA HIS A 64 2.737 3.432 -5.157 1.00 0.00 C ATOM 1010 C HIS A 64 1.253 3.761 -4.985 1.00 0.00 C ATOM 1011 O HIS A 64 0.394 3.080 -5.542 1.00 0.00 O ATOM 1012 CB HIS A 64 3.305 3.929 -6.487 1.00 0.00 C ATOM 1013 CG HIS A 64 3.840 5.341 -6.438 1.00 0.00 C ATOM 1014 ND1 HIS A 64 4.218 6.039 -7.571 1.00 0.00 N ATOM 1015 CD2 HIS A 64 4.055 6.176 -5.381 1.00 0.00 C ATOM 1016 CE1 HIS A 64 4.640 7.239 -7.201 1.00 0.00 C ATOM 1017 NE2 HIS A 64 4.539 7.322 -5.843 1.00 0.00 N ATOM 0 H HIS A 64 3.286 1.532 -5.850 1.00 0.00 H new ATOM 0 HA HIS A 64 3.283 3.961 -4.376 1.00 0.00 H new ATOM 0 HB2 HIS A 64 4.105 3.259 -6.801 1.00 0.00 H new ATOM 0 HB3 HIS A 64 2.525 3.873 -7.247 1.00 0.00 H new ATOM 0 HD1 HIS A 64 4.179 5.689 -8.528 1.00 0.00 H new ATOM 0 HD2 HIS A 64 3.864 5.944 -4.344 1.00 0.00 H new ATOM 0 HE1 HIS A 64 5.001 8.016 -7.859 1.00 0.00 H new ATOM 1025 N LEU A 65 0.997 4.807 -4.212 1.00 0.00 N ATOM 1026 CA LEU A 65 -0.368 5.235 -3.960 1.00 0.00 C ATOM 1027 C LEU A 65 -0.531 6.690 -4.404 1.00 0.00 C ATOM 1028 O LEU A 65 -1.560 7.311 -4.140 1.00 0.00 O ATOM 1029 CB LEU A 65 -0.745 4.992 -2.497 1.00 0.00 C ATOM 1030 CG LEU A 65 -0.313 3.647 -1.908 1.00 0.00 C ATOM 1031 CD1 LEU A 65 -0.256 3.711 -0.381 1.00 0.00 C ATOM 1032 CD2 LEU A 65 -1.218 2.517 -2.401 1.00 0.00 C ATOM 0 H LEU A 65 1.712 5.370 -3.752 1.00 0.00 H new ATOM 0 HA LEU A 65 -1.068 4.641 -4.548 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -0.309 5.788 -1.893 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -1.828 5.077 -2.402 1.00 0.00 H new ATOM 0 HG LEU A 65 0.695 3.428 -2.259 1.00 0.00 H new ATOM 0 HD11 LEU A 65 0.053 2.743 0.012 1.00 0.00 H new ATOM 0 HD12 LEU A 65 0.461 4.473 -0.075 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -1.242 3.963 0.010 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -0.889 1.572 -1.968 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -2.246 2.716 -2.099 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -1.164 2.456 -3.488 1.00 0.00 H new ATOM 1044 N ARG A 66 0.498 7.192 -5.070 1.00 0.00 N ATOM 1045 CA ARG A 66 0.482 8.562 -5.552 1.00 0.00 C ATOM 1046 C ARG A 66 -0.850 8.866 -6.242 1.00 0.00 C ATOM 1047 O ARG A 66 -1.269 10.020 -6.308 1.00 0.00 O ATOM 1048 CB ARG A 66 1.626 8.813 -6.536 1.00 0.00 C ATOM 1049 CG ARG A 66 1.481 7.938 -7.782 1.00 0.00 C ATOM 1050 CD ARG A 66 2.241 8.539 -8.966 1.00 0.00 C ATOM 1051 NE ARG A 66 2.049 7.700 -10.170 1.00 0.00 N ATOM 1052 CZ ARG A 66 2.482 8.031 -11.394 1.00 0.00 C ATOM 1053 NH1 ARG A 66 3.136 9.185 -11.583 1.00 0.00 N ATOM 1054 NH2 ARG A 66 2.262 7.208 -12.428 1.00 0.00 N ATOM 0 H ARG A 66 1.349 6.674 -5.287 1.00 0.00 H new ATOM 0 HA ARG A 66 0.608 9.218 -4.691 1.00 0.00 H new ATOM 0 HB2 ARG A 66 1.638 9.864 -6.825 1.00 0.00 H new ATOM 0 HB3 ARG A 66 2.580 8.605 -6.051 1.00 0.00 H new ATOM 0 HG2 ARG A 66 1.858 6.937 -7.574 1.00 0.00 H new ATOM 0 HG3 ARG A 66 0.426 7.834 -8.037 1.00 0.00 H new ATOM 0 HD2 ARG A 66 1.888 9.552 -9.159 1.00 0.00 H new ATOM 0 HD3 ARG A 66 3.302 8.611 -8.729 1.00 0.00 H new ATOM 0 HE ARG A 66 1.556 6.814 -10.061 1.00 0.00 H new ATOM 0 HH11 ARG A 66 3.304 9.811 -10.795 1.00 0.00 H new ATOM 0 HH12 ARG A 66 3.466 9.438 -12.515 1.00 0.00 H new ATOM 0 HH21 ARG A 66 1.765 6.329 -12.284 1.00 0.00 H new ATOM 0 HH22 ARG A 66 2.592 7.460 -13.360 1.00 0.00 H new ATOM 1068 N GLY A 67 -1.478 7.810 -6.738 1.00 0.00 N ATOM 1069 CA GLY A 67 -2.753 7.949 -7.419 1.00 0.00 C ATOM 1070 C GLY A 67 -3.398 6.583 -7.660 1.00 0.00 C ATOM 1071 O GLY A 67 -4.022 6.361 -8.697 1.00 0.00 O ATOM 0 H GLY A 67 -1.127 6.854 -6.681 1.00 0.00 H new ATOM 0 HA2 GLY A 67 -3.421 8.571 -6.823 1.00 0.00 H new ATOM 0 HA3 GLY A 67 -2.607 8.459 -8.371 1.00 0.00 H new ATOM 1075 N CYS A 68 -3.226 5.703 -6.685 1.00 0.00 N ATOM 1076 CA CYS A 68 -3.784 4.364 -6.778 1.00 0.00 C ATOM 1077 C CYS A 68 -5.301 4.462 -6.601 1.00 0.00 C ATOM 1078 O CYS A 68 -5.818 5.512 -6.221 1.00 0.00 O ATOM 1079 CB CYS A 68 -3.150 3.415 -5.759 1.00 0.00 C ATOM 1080 SG CYS A 68 -3.569 3.950 -4.060 1.00 0.00 S ATOM 0 H CYS A 68 -2.708 5.891 -5.826 1.00 0.00 H new ATOM 0 HA CYS A 68 -3.560 3.941 -7.758 1.00 0.00 H new ATOM 0 HB2 CYS A 68 -3.505 2.398 -5.927 1.00 0.00 H new ATOM 0 HB3 CYS A 68 -2.068 3.400 -5.888 1.00 0.00 H new ATOM 0 HG CYS A 68 -4.027 2.937 -3.387 1.00 0.00 H new ATOM 1086 N VAL A 69 -5.970 3.355 -6.883 1.00 0.00 N ATOM 1087 CA VAL A 69 -7.417 3.302 -6.759 1.00 0.00 C ATOM 1088 C VAL A 69 -7.800 2.204 -5.766 1.00 0.00 C ATOM 1089 O VAL A 69 -7.117 1.186 -5.667 1.00 0.00 O ATOM 1090 CB VAL A 69 -8.054 3.111 -8.137 1.00 0.00 C ATOM 1091 CG1 VAL A 69 -9.577 3.227 -8.058 1.00 0.00 C ATOM 1092 CG2 VAL A 69 -7.480 4.104 -9.149 1.00 0.00 C ATOM 0 H VAL A 69 -5.537 2.487 -7.197 1.00 0.00 H new ATOM 0 HA VAL A 69 -7.801 4.243 -6.366 1.00 0.00 H new ATOM 0 HB VAL A 69 -7.812 2.105 -8.481 1.00 0.00 H new ATOM 0 HG11 VAL A 69 -10.005 3.087 -9.051 1.00 0.00 H new ATOM 0 HG12 VAL A 69 -9.966 2.463 -7.385 1.00 0.00 H new ATOM 0 HG13 VAL A 69 -9.848 4.214 -7.682 1.00 0.00 H new ATOM 0 HG21 VAL A 69 -7.950 3.947 -10.120 1.00 0.00 H new ATOM 0 HG22 VAL A 69 -7.676 5.122 -8.812 1.00 0.00 H new ATOM 0 HG23 VAL A 69 -6.404 3.952 -9.238 1.00 0.00 H new ATOM 1102 N VAL A 70 -8.892 2.447 -5.055 1.00 0.00 N ATOM 1103 CA VAL A 70 -9.374 1.491 -4.073 1.00 0.00 C ATOM 1104 C VAL A 70 -10.763 1.001 -4.485 1.00 0.00 C ATOM 1105 O VAL A 70 -11.593 1.786 -4.942 1.00 0.00 O ATOM 1106 CB VAL A 70 -9.350 2.118 -2.677 1.00 0.00 C ATOM 1107 CG1 VAL A 70 -10.192 1.301 -1.695 1.00 0.00 C ATOM 1108 CG2 VAL A 70 -7.915 2.275 -2.171 1.00 0.00 C ATOM 0 H VAL A 70 -9.456 3.292 -5.140 1.00 0.00 H new ATOM 0 HA VAL A 70 -8.720 0.620 -4.034 1.00 0.00 H new ATOM 0 HB VAL A 70 -9.790 3.113 -2.749 1.00 0.00 H new ATOM 0 HG11 VAL A 70 -10.158 1.768 -0.711 1.00 0.00 H new ATOM 0 HG12 VAL A 70 -11.224 1.264 -2.044 1.00 0.00 H new ATOM 0 HG13 VAL A 70 -9.795 0.288 -1.630 1.00 0.00 H new ATOM 0 HG21 VAL A 70 -7.927 2.723 -1.177 1.00 0.00 H new ATOM 0 HG22 VAL A 70 -7.437 1.297 -2.123 1.00 0.00 H new ATOM 0 HG23 VAL A 70 -7.357 2.918 -2.852 1.00 0.00 H new ATOM 1118 N THR A 71 -10.974 -0.295 -4.308 1.00 0.00 N ATOM 1119 CA THR A 71 -12.249 -0.900 -4.655 1.00 0.00 C ATOM 1120 C THR A 71 -12.467 -2.184 -3.852 1.00 0.00 C ATOM 1121 O THR A 71 -11.538 -2.695 -3.228 1.00 0.00 O ATOM 1122 CB THR A 71 -12.271 -1.120 -6.169 1.00 0.00 C ATOM 1123 OG1 THR A 71 -13.543 -0.619 -6.574 1.00 0.00 O ATOM 1124 CG2 THR A 71 -12.317 -2.602 -6.546 1.00 0.00 C ATOM 0 H THR A 71 -10.284 -0.943 -3.929 1.00 0.00 H new ATOM 0 HA THR A 71 -13.081 -0.246 -4.394 1.00 0.00 H new ATOM 0 HB THR A 71 -11.389 -0.660 -6.615 1.00 0.00 H new ATOM 0 HG1 THR A 71 -13.641 -0.721 -7.544 1.00 0.00 H new ATOM 0 HG21 THR A 71 -12.331 -2.701 -7.631 1.00 0.00 H new ATOM 0 HG22 THR A 71 -11.437 -3.106 -6.147 1.00 0.00 H new ATOM 0 HG23 THR A 71 -13.216 -3.056 -6.129 1.00 0.00 H new ATOM 1132 N SER A 72 -13.699 -2.669 -3.894 1.00 0.00 N ATOM 1133 CA SER A 72 -14.051 -3.883 -3.178 1.00 0.00 C ATOM 1134 C SER A 72 -14.278 -5.027 -4.168 1.00 0.00 C ATOM 1135 O SER A 72 -14.700 -4.798 -5.301 1.00 0.00 O ATOM 1136 CB SER A 72 -15.297 -3.673 -2.316 1.00 0.00 C ATOM 1137 OG SER A 72 -15.571 -2.291 -2.102 1.00 0.00 O ATOM 0 H SER A 72 -14.467 -2.243 -4.413 1.00 0.00 H new ATOM 0 HA SER A 72 -13.224 -4.141 -2.517 1.00 0.00 H new ATOM 0 HB2 SER A 72 -16.155 -4.142 -2.798 1.00 0.00 H new ATOM 0 HB3 SER A 72 -15.161 -4.169 -1.355 1.00 0.00 H new ATOM 0 HG SER A 72 -16.375 -2.199 -1.549 1.00 0.00 H new ATOM 1143 N VAL A 73 -13.987 -6.234 -3.705 1.00 0.00 N ATOM 1144 CA VAL A 73 -14.154 -7.415 -4.536 1.00 0.00 C ATOM 1145 C VAL A 73 -15.640 -7.772 -4.613 1.00 0.00 C ATOM 1146 O VAL A 73 -16.466 -7.155 -3.944 1.00 0.00 O ATOM 1147 CB VAL A 73 -13.291 -8.558 -4.000 1.00 0.00 C ATOM 1148 CG1 VAL A 73 -11.806 -8.194 -4.051 1.00 0.00 C ATOM 1149 CG2 VAL A 73 -13.713 -8.945 -2.581 1.00 0.00 C ATOM 0 H VAL A 73 -13.637 -6.420 -2.765 1.00 0.00 H new ATOM 0 HA VAL A 73 -13.814 -7.219 -5.553 1.00 0.00 H new ATOM 0 HB VAL A 73 -13.445 -9.425 -4.643 1.00 0.00 H new ATOM 0 HG11 VAL A 73 -11.214 -9.024 -3.664 1.00 0.00 H new ATOM 0 HG12 VAL A 73 -11.516 -7.991 -5.082 1.00 0.00 H new ATOM 0 HG13 VAL A 73 -11.628 -7.307 -3.443 1.00 0.00 H new ATOM 0 HG21 VAL A 73 -13.083 -9.760 -2.224 1.00 0.00 H new ATOM 0 HG22 VAL A 73 -13.602 -8.085 -1.921 1.00 0.00 H new ATOM 0 HG23 VAL A 73 -14.754 -9.267 -2.586 1.00 0.00 H new ATOM 1318 N GLU A 85 -12.830 -15.030 1.593 1.00 0.00 N ATOM 1319 CA GLU A 85 -13.307 -14.202 2.688 1.00 0.00 C ATOM 1320 C GLU A 85 -13.451 -12.749 2.231 1.00 0.00 C ATOM 1321 O GLU A 85 -13.768 -12.488 1.072 1.00 0.00 O ATOM 1322 CB GLU A 85 -12.378 -14.306 3.899 1.00 0.00 C ATOM 1323 CG GLU A 85 -11.933 -15.753 4.126 1.00 0.00 C ATOM 1324 CD GLU A 85 -11.403 -15.947 5.548 1.00 0.00 C ATOM 1325 OE1 GLU A 85 -12.058 -15.423 6.474 1.00 0.00 O ATOM 1326 OE2 GLU A 85 -10.354 -16.615 5.676 1.00 0.00 O ATOM 0 HA GLU A 85 -14.288 -14.566 2.992 1.00 0.00 H new ATOM 0 HB2 GLU A 85 -11.504 -13.673 3.747 1.00 0.00 H new ATOM 0 HB3 GLU A 85 -12.890 -13.935 4.787 1.00 0.00 H new ATOM 0 HG2 GLU A 85 -12.772 -16.427 3.952 1.00 0.00 H new ATOM 0 HG3 GLU A 85 -11.158 -16.016 3.406 1.00 0.00 H new ATOM 1333 N ASN A 86 -13.212 -11.842 3.167 1.00 0.00 N ATOM 1334 CA ASN A 86 -13.311 -10.422 2.875 1.00 0.00 C ATOM 1335 C ASN A 86 -12.014 -9.949 2.215 1.00 0.00 C ATOM 1336 O ASN A 86 -10.967 -9.903 2.858 1.00 0.00 O ATOM 1337 CB ASN A 86 -13.513 -9.609 4.155 1.00 0.00 C ATOM 1338 CG ASN A 86 -14.709 -10.132 4.954 1.00 0.00 C ATOM 1339 OD1 ASN A 86 -15.766 -10.422 4.419 1.00 0.00 O ATOM 1340 ND2 ASN A 86 -14.483 -10.236 6.260 1.00 0.00 N ATOM 0 H ASN A 86 -12.950 -12.063 4.128 1.00 0.00 H new ATOM 0 HA ASN A 86 -14.165 -10.273 2.214 1.00 0.00 H new ATOM 0 HB2 ASN A 86 -12.613 -9.658 4.767 1.00 0.00 H new ATOM 0 HB3 ASN A 86 -13.670 -8.560 3.903 1.00 0.00 H new ATOM 0 HD21 ASN A 86 -15.219 -10.576 6.879 1.00 0.00 H new ATOM 0 HD22 ASN A 86 -13.574 -9.976 6.643 1.00 0.00 H new ATOM 1347 N LEU A 87 -12.126 -9.611 0.939 1.00 0.00 N ATOM 1348 CA LEU A 87 -10.976 -9.144 0.184 1.00 0.00 C ATOM 1349 C LEU A 87 -11.341 -7.850 -0.546 1.00 0.00 C ATOM 1350 O LEU A 87 -12.487 -7.406 -0.494 1.00 0.00 O ATOM 1351 CB LEU A 87 -10.458 -10.247 -0.741 1.00 0.00 C ATOM 1352 CG LEU A 87 -11.299 -11.523 -0.799 1.00 0.00 C ATOM 1353 CD1 LEU A 87 -11.452 -12.014 -2.240 1.00 0.00 C ATOM 1354 CD2 LEU A 87 -10.720 -12.604 0.116 1.00 0.00 C ATOM 0 H LEU A 87 -12.996 -9.651 0.409 1.00 0.00 H new ATOM 0 HA LEU A 87 -10.150 -8.909 0.855 1.00 0.00 H new ATOM 0 HB2 LEU A 87 -10.380 -9.841 -1.750 1.00 0.00 H new ATOM 0 HB3 LEU A 87 -9.449 -10.514 -0.426 1.00 0.00 H new ATOM 0 HG LEU A 87 -12.298 -11.290 -0.430 1.00 0.00 H new ATOM 0 HD11 LEU A 87 -12.054 -12.922 -2.253 1.00 0.00 H new ATOM 0 HD12 LEU A 87 -11.943 -11.245 -2.836 1.00 0.00 H new ATOM 0 HD13 LEU A 87 -10.468 -12.225 -2.659 1.00 0.00 H new ATOM 0 HD21 LEU A 87 -11.337 -13.500 0.056 1.00 0.00 H new ATOM 0 HD22 LEU A 87 -9.704 -12.841 -0.199 1.00 0.00 H new ATOM 0 HD23 LEU A 87 -10.706 -12.242 1.144 1.00 0.00 H new ATOM 1366 N PHE A 88 -10.345 -7.281 -1.209 1.00 0.00 N ATOM 1367 CA PHE A 88 -10.547 -6.047 -1.949 1.00 0.00 C ATOM 1368 C PHE A 88 -9.435 -5.836 -2.979 1.00 0.00 C ATOM 1369 O PHE A 88 -8.290 -6.222 -2.749 1.00 0.00 O ATOM 1370 CB PHE A 88 -10.507 -4.904 -0.932 1.00 0.00 C ATOM 1371 CG PHE A 88 -9.358 -5.005 0.072 1.00 0.00 C ATOM 1372 CD1 PHE A 88 -8.130 -4.516 -0.248 1.00 0.00 C ATOM 1373 CD2 PHE A 88 -9.564 -5.584 1.286 1.00 0.00 C ATOM 1374 CE1 PHE A 88 -7.063 -4.610 0.685 1.00 0.00 C ATOM 1375 CE2 PHE A 88 -8.498 -5.678 2.218 1.00 0.00 C ATOM 1376 CZ PHE A 88 -7.270 -5.188 1.898 1.00 0.00 C ATOM 0 H PHE A 88 -9.396 -7.652 -1.249 1.00 0.00 H new ATOM 0 HA PHE A 88 -11.497 -6.085 -2.482 1.00 0.00 H new ATOM 0 HB2 PHE A 88 -10.426 -3.958 -1.467 1.00 0.00 H new ATOM 0 HB3 PHE A 88 -11.451 -4.883 -0.387 1.00 0.00 H new ATOM 0 HD1 PHE A 88 -7.966 -4.056 -1.211 1.00 0.00 H new ATOM 0 HD2 PHE A 88 -10.539 -5.972 1.540 1.00 0.00 H new ATOM 0 HE1 PHE A 88 -6.088 -4.222 0.431 1.00 0.00 H new ATOM 0 HE2 PHE A 88 -8.662 -6.138 3.181 1.00 0.00 H new ATOM 0 HZ PHE A 88 -6.459 -5.258 2.608 1.00 0.00 H new ATOM 1386 N GLU A 89 -9.812 -5.224 -4.092 1.00 0.00 N ATOM 1387 CA GLU A 89 -8.861 -4.958 -5.158 1.00 0.00 C ATOM 1388 C GLU A 89 -8.386 -3.505 -5.095 1.00 0.00 C ATOM 1389 O GLU A 89 -9.200 -2.584 -5.036 1.00 0.00 O ATOM 1390 CB GLU A 89 -9.466 -5.278 -6.526 1.00 0.00 C ATOM 1391 CG GLU A 89 -8.419 -5.144 -7.634 1.00 0.00 C ATOM 1392 CD GLU A 89 -8.940 -5.718 -8.953 1.00 0.00 C ATOM 1393 OE1 GLU A 89 -9.984 -5.213 -9.419 1.00 0.00 O ATOM 1394 OE2 GLU A 89 -8.283 -6.651 -9.464 1.00 0.00 O ATOM 0 H GLU A 89 -10.763 -4.905 -4.279 1.00 0.00 H new ATOM 0 HA GLU A 89 -7.998 -5.609 -5.018 1.00 0.00 H new ATOM 0 HB2 GLU A 89 -9.868 -6.291 -6.522 1.00 0.00 H new ATOM 0 HB3 GLU A 89 -10.300 -4.605 -6.725 1.00 0.00 H new ATOM 0 HG2 GLU A 89 -8.158 -4.094 -7.768 1.00 0.00 H new ATOM 0 HG3 GLU A 89 -7.507 -5.664 -7.342 1.00 0.00 H new ATOM 1401 N ILE A 90 -7.071 -3.344 -5.108 1.00 0.00 N ATOM 1402 CA ILE A 90 -6.478 -2.018 -5.053 1.00 0.00 C ATOM 1403 C ILE A 90 -5.605 -1.803 -6.291 1.00 0.00 C ATOM 1404 O ILE A 90 -4.502 -2.340 -6.377 1.00 0.00 O ATOM 1405 CB ILE A 90 -5.733 -1.819 -3.732 1.00 0.00 C ATOM 1406 CG1 ILE A 90 -6.684 -1.948 -2.541 1.00 0.00 C ATOM 1407 CG2 ILE A 90 -4.979 -0.488 -3.723 1.00 0.00 C ATOM 1408 CD1 ILE A 90 -5.907 -2.038 -1.226 1.00 0.00 C ATOM 0 H ILE A 90 -6.399 -4.110 -5.156 1.00 0.00 H new ATOM 0 HA ILE A 90 -7.253 -1.252 -5.073 1.00 0.00 H new ATOM 0 HB ILE A 90 -4.990 -2.610 -3.637 1.00 0.00 H new ATOM 0 HG12 ILE A 90 -7.356 -1.090 -2.513 1.00 0.00 H new ATOM 0 HG13 ILE A 90 -7.305 -2.835 -2.662 1.00 0.00 H new ATOM 0 HG21 ILE A 90 -4.458 -0.371 -2.773 1.00 0.00 H new ATOM 0 HG22 ILE A 90 -4.255 -0.474 -4.538 1.00 0.00 H new ATOM 0 HG23 ILE A 90 -5.686 0.332 -3.852 1.00 0.00 H new ATOM 0 HD11 ILE A 90 -6.607 -2.129 -0.395 1.00 0.00 H new ATOM 0 HD12 ILE A 90 -5.254 -2.911 -1.248 1.00 0.00 H new ATOM 0 HD13 ILE A 90 -5.305 -1.138 -1.097 1.00 0.00 H new ATOM 1420 N ILE A 91 -6.132 -1.017 -7.218 1.00 0.00 N ATOM 1421 CA ILE A 91 -5.414 -0.724 -8.447 1.00 0.00 C ATOM 1422 C ILE A 91 -4.393 0.385 -8.184 1.00 0.00 C ATOM 1423 O ILE A 91 -4.661 1.312 -7.421 1.00 0.00 O ATOM 1424 CB ILE A 91 -6.394 -0.402 -9.576 1.00 0.00 C ATOM 1425 CG1 ILE A 91 -7.533 -1.423 -9.621 1.00 0.00 C ATOM 1426 CG2 ILE A 91 -5.668 -0.294 -10.919 1.00 0.00 C ATOM 1427 CD1 ILE A 91 -8.893 -0.725 -9.688 1.00 0.00 C ATOM 0 H ILE A 91 -7.048 -0.574 -7.143 1.00 0.00 H new ATOM 0 HA ILE A 91 -4.856 -1.599 -8.780 1.00 0.00 H new ATOM 0 HB ILE A 91 -6.841 0.571 -9.373 1.00 0.00 H new ATOM 0 HG12 ILE A 91 -7.410 -2.072 -10.488 1.00 0.00 H new ATOM 0 HG13 ILE A 91 -7.490 -2.060 -8.737 1.00 0.00 H new ATOM 0 HG21 ILE A 91 -6.388 -0.064 -11.704 1.00 0.00 H new ATOM 0 HG22 ILE A 91 -4.923 0.500 -10.867 1.00 0.00 H new ATOM 0 HG23 ILE A 91 -5.176 -1.240 -11.144 1.00 0.00 H new ATOM 0 HD11 ILE A 91 -9.685 -1.473 -9.719 1.00 0.00 H new ATOM 0 HD12 ILE A 91 -9.023 -0.096 -8.808 1.00 0.00 H new ATOM 0 HD13 ILE A 91 -8.942 -0.108 -10.585 1.00 0.00 H new ATOM 1439 N THR A 92 -3.245 0.254 -8.831 1.00 0.00 N ATOM 1440 CA THR A 92 -2.183 1.234 -8.677 1.00 0.00 C ATOM 1441 C THR A 92 -2.095 2.125 -9.918 1.00 0.00 C ATOM 1442 O THR A 92 -2.836 1.930 -10.880 1.00 0.00 O ATOM 1443 CB THR A 92 -0.885 0.481 -8.377 1.00 0.00 C ATOM 1444 OG1 THR A 92 -0.689 -0.344 -9.522 1.00 0.00 O ATOM 1445 CG2 THR A 92 -1.038 -0.513 -7.224 1.00 0.00 C ATOM 0 H THR A 92 -3.026 -0.516 -9.463 1.00 0.00 H new ATOM 0 HA THR A 92 -2.385 1.908 -7.845 1.00 0.00 H new ATOM 0 HB THR A 92 -0.098 1.196 -8.138 1.00 0.00 H new ATOM 0 HG1 THR A 92 0.271 -0.458 -9.683 1.00 0.00 H new ATOM 0 HG21 THR A 92 -0.089 -1.020 -7.052 1.00 0.00 H new ATOM 0 HG22 THR A 92 -1.333 0.021 -6.320 1.00 0.00 H new ATOM 0 HG23 THR A 92 -1.802 -1.248 -7.477 1.00 0.00 H new ATOM 1453 N ALA A 93 -1.183 3.083 -9.855 1.00 0.00 N ATOM 1454 CA ALA A 93 -0.988 4.005 -10.962 1.00 0.00 C ATOM 1455 C ALA A 93 -0.515 3.227 -12.191 1.00 0.00 C ATOM 1456 O ALA A 93 -0.562 3.737 -13.309 1.00 0.00 O ATOM 1457 CB ALA A 93 -0.002 5.099 -10.548 1.00 0.00 C ATOM 0 H ALA A 93 -0.570 3.241 -9.055 1.00 0.00 H new ATOM 0 HA ALA A 93 -1.926 4.495 -11.224 1.00 0.00 H new ATOM 0 HB1 ALA A 93 0.144 5.790 -11.378 1.00 0.00 H new ATOM 0 HB2 ALA A 93 -0.399 5.641 -9.690 1.00 0.00 H new ATOM 0 HB3 ALA A 93 0.953 4.646 -10.281 1.00 0.00 H new ATOM 1463 N ASP A 94 -0.069 2.004 -11.942 1.00 0.00 N ATOM 1464 CA ASP A 94 0.413 1.151 -13.015 1.00 0.00 C ATOM 1465 C ASP A 94 -0.712 0.215 -13.460 1.00 0.00 C ATOM 1466 O ASP A 94 -0.534 -0.582 -14.380 1.00 0.00 O ATOM 1467 CB ASP A 94 1.588 0.289 -12.547 1.00 0.00 C ATOM 1468 CG ASP A 94 2.554 -0.142 -13.653 1.00 0.00 C ATOM 1469 OD1 ASP A 94 2.144 -0.054 -14.830 1.00 0.00 O ATOM 1470 OD2 ASP A 94 3.680 -0.550 -13.295 1.00 0.00 O ATOM 0 H ASP A 94 -0.031 1.584 -11.013 1.00 0.00 H new ATOM 0 HA ASP A 94 0.739 1.791 -13.835 1.00 0.00 H new ATOM 0 HB2 ASP A 94 2.147 0.842 -11.792 1.00 0.00 H new ATOM 0 HB3 ASP A 94 1.194 -0.604 -12.061 1.00 0.00 H new ATOM 1475 N GLU A 95 -1.846 0.342 -12.787 1.00 0.00 N ATOM 1476 CA GLU A 95 -3.000 -0.482 -13.102 1.00 0.00 C ATOM 1477 C GLU A 95 -2.888 -1.841 -12.408 1.00 0.00 C ATOM 1478 O GLU A 95 -3.789 -2.672 -12.512 1.00 0.00 O ATOM 1479 CB GLU A 95 -3.157 -0.651 -14.615 1.00 0.00 C ATOM 1480 CG GLU A 95 -2.880 0.665 -15.345 1.00 0.00 C ATOM 1481 CD GLU A 95 -3.719 0.771 -16.620 1.00 0.00 C ATOM 1482 OE1 GLU A 95 -3.679 -0.198 -17.408 1.00 0.00 O ATOM 1483 OE2 GLU A 95 -4.381 1.819 -16.778 1.00 0.00 O ATOM 0 H GLU A 95 -1.990 1.004 -12.024 1.00 0.00 H new ATOM 0 HA GLU A 95 -3.893 0.021 -12.731 1.00 0.00 H new ATOM 0 HB2 GLU A 95 -2.472 -1.420 -14.972 1.00 0.00 H new ATOM 0 HB3 GLU A 95 -4.167 -0.992 -14.844 1.00 0.00 H new ATOM 0 HG2 GLU A 95 -3.104 1.504 -14.687 1.00 0.00 H new ATOM 0 HG3 GLU A 95 -1.821 0.730 -15.595 1.00 0.00 H new ATOM 1490 N VAL A 96 -1.774 -2.024 -11.714 1.00 0.00 N ATOM 1491 CA VAL A 96 -1.532 -3.268 -11.002 1.00 0.00 C ATOM 1492 C VAL A 96 -2.639 -3.482 -9.968 1.00 0.00 C ATOM 1493 O VAL A 96 -2.961 -2.575 -9.202 1.00 0.00 O ATOM 1494 CB VAL A 96 -0.132 -3.254 -10.386 1.00 0.00 C ATOM 1495 CG1 VAL A 96 0.178 -4.586 -9.700 1.00 0.00 C ATOM 1496 CG2 VAL A 96 0.927 -2.919 -11.438 1.00 0.00 C ATOM 0 H VAL A 96 -1.029 -1.332 -11.630 1.00 0.00 H new ATOM 0 HA VAL A 96 -1.561 -4.114 -11.689 1.00 0.00 H new ATOM 0 HB VAL A 96 -0.108 -2.472 -9.627 1.00 0.00 H new ATOM 0 HG11 VAL A 96 1.179 -4.550 -9.270 1.00 0.00 H new ATOM 0 HG12 VAL A 96 -0.550 -4.766 -8.909 1.00 0.00 H new ATOM 0 HG13 VAL A 96 0.126 -5.393 -10.431 1.00 0.00 H new ATOM 0 HG21 VAL A 96 1.913 -2.916 -10.973 1.00 0.00 H new ATOM 0 HG22 VAL A 96 0.902 -3.667 -12.231 1.00 0.00 H new ATOM 0 HG23 VAL A 96 0.722 -1.935 -11.861 1.00 0.00 H new ATOM 1506 N HIS A 97 -3.190 -4.687 -9.979 1.00 0.00 N ATOM 1507 CA HIS A 97 -4.254 -5.031 -9.051 1.00 0.00 C ATOM 1508 C HIS A 97 -3.698 -5.927 -7.942 1.00 0.00 C ATOM 1509 O HIS A 97 -2.779 -6.711 -8.175 1.00 0.00 O ATOM 1510 CB HIS A 97 -5.435 -5.665 -9.789 1.00 0.00 C ATOM 1511 CG HIS A 97 -5.829 -4.941 -11.054 1.00 0.00 C ATOM 1512 ND1 HIS A 97 -7.022 -4.252 -11.183 1.00 0.00 N ATOM 1513 CD2 HIS A 97 -5.175 -4.805 -12.244 1.00 0.00 C ATOM 1514 CE1 HIS A 97 -7.074 -3.729 -12.399 1.00 0.00 C ATOM 1515 NE2 HIS A 97 -5.929 -4.074 -13.055 1.00 0.00 N ATOM 0 H HIS A 97 -2.920 -5.437 -10.615 1.00 0.00 H new ATOM 0 HA HIS A 97 -4.638 -4.126 -8.581 1.00 0.00 H new ATOM 0 HB2 HIS A 97 -5.184 -6.697 -10.036 1.00 0.00 H new ATOM 0 HB3 HIS A 97 -6.294 -5.698 -9.119 1.00 0.00 H new ATOM 0 HD2 HIS A 97 -4.208 -5.222 -12.485 1.00 0.00 H new ATOM 0 HE1 HIS A 97 -7.881 -3.134 -12.800 1.00 0.00 H new ATOM 0 HE2 HIS A 97 -5.691 -3.813 -14.012 1.00 0.00 H new ATOM 1523 N TYR A 98 -4.277 -5.780 -6.760 1.00 0.00 N ATOM 1524 CA TYR A 98 -3.851 -6.566 -5.615 1.00 0.00 C ATOM 1525 C TYR A 98 -5.045 -6.951 -4.739 1.00 0.00 C ATOM 1526 O TYR A 98 -5.785 -6.084 -4.276 1.00 0.00 O ATOM 1527 CB TYR A 98 -2.914 -5.663 -4.810 1.00 0.00 C ATOM 1528 CG TYR A 98 -1.535 -5.474 -5.445 1.00 0.00 C ATOM 1529 CD1 TYR A 98 -0.624 -6.511 -5.439 1.00 0.00 C ATOM 1530 CD2 TYR A 98 -1.202 -4.267 -6.025 1.00 0.00 C ATOM 1531 CE1 TYR A 98 0.674 -6.333 -6.037 1.00 0.00 C ATOM 1532 CE2 TYR A 98 0.096 -4.089 -6.623 1.00 0.00 C ATOM 1533 CZ TYR A 98 0.970 -5.131 -6.600 1.00 0.00 C ATOM 1534 OH TYR A 98 2.195 -4.963 -7.165 1.00 0.00 O ATOM 0 H TYR A 98 -5.038 -5.128 -6.570 1.00 0.00 H new ATOM 0 HA TYR A 98 -3.368 -7.487 -5.940 1.00 0.00 H new ATOM 0 HB2 TYR A 98 -3.383 -4.687 -4.688 1.00 0.00 H new ATOM 0 HB3 TYR A 98 -2.789 -6.084 -3.812 1.00 0.00 H new ATOM 0 HD1 TYR A 98 -0.885 -7.456 -4.986 1.00 0.00 H new ATOM 0 HD2 TYR A 98 -1.915 -3.456 -6.030 1.00 0.00 H new ATOM 0 HE1 TYR A 98 1.396 -7.136 -6.038 1.00 0.00 H new ATOM 0 HE2 TYR A 98 0.369 -3.149 -7.080 1.00 0.00 H new ATOM 0 HH TYR A 98 2.518 -5.822 -7.508 1.00 0.00 H new ATOM 1544 N PHE A 99 -5.196 -8.251 -4.539 1.00 0.00 N ATOM 1545 CA PHE A 99 -6.288 -8.762 -3.727 1.00 0.00 C ATOM 1546 C PHE A 99 -5.797 -9.154 -2.332 1.00 0.00 C ATOM 1547 O PHE A 99 -5.103 -10.157 -2.173 1.00 0.00 O ATOM 1548 CB PHE A 99 -6.827 -10.007 -4.433 1.00 0.00 C ATOM 1549 CG PHE A 99 -7.629 -9.706 -5.701 1.00 0.00 C ATOM 1550 CD1 PHE A 99 -8.854 -9.123 -5.608 1.00 0.00 C ATOM 1551 CD2 PHE A 99 -7.117 -10.021 -6.921 1.00 0.00 C ATOM 1552 CE1 PHE A 99 -9.599 -8.843 -6.784 1.00 0.00 C ATOM 1553 CE2 PHE A 99 -7.861 -9.741 -8.097 1.00 0.00 C ATOM 1554 CZ PHE A 99 -9.087 -9.158 -8.004 1.00 0.00 C ATOM 0 H PHE A 99 -4.580 -8.967 -4.925 1.00 0.00 H new ATOM 0 HA PHE A 99 -7.055 -7.996 -3.611 1.00 0.00 H new ATOM 0 HB2 PHE A 99 -5.991 -10.657 -4.690 1.00 0.00 H new ATOM 0 HB3 PHE A 99 -7.459 -10.561 -3.739 1.00 0.00 H new ATOM 0 HD1 PHE A 99 -9.261 -8.873 -4.639 1.00 0.00 H new ATOM 0 HD2 PHE A 99 -6.144 -10.484 -6.995 1.00 0.00 H new ATOM 0 HE1 PHE A 99 -10.572 -8.380 -6.710 1.00 0.00 H new ATOM 0 HE2 PHE A 99 -7.454 -9.991 -9.066 1.00 0.00 H new ATOM 0 HZ PHE A 99 -9.653 -8.945 -8.899 1.00 0.00 H new ATOM 1564 N LEU A 100 -6.177 -8.342 -1.356 1.00 0.00 N ATOM 1565 CA LEU A 100 -5.784 -8.591 0.021 1.00 0.00 C ATOM 1566 C LEU A 100 -7.013 -9.011 0.829 1.00 0.00 C ATOM 1567 O LEU A 100 -8.061 -8.372 0.750 1.00 0.00 O ATOM 1568 CB LEU A 100 -5.054 -7.376 0.598 1.00 0.00 C ATOM 1569 CG LEU A 100 -3.901 -6.825 -0.243 1.00 0.00 C ATOM 1570 CD1 LEU A 100 -2.997 -7.955 -0.741 1.00 0.00 C ATOM 1571 CD2 LEU A 100 -4.424 -5.961 -1.392 1.00 0.00 C ATOM 0 H LEU A 100 -6.753 -7.511 -1.491 1.00 0.00 H new ATOM 0 HA LEU A 100 -5.072 -9.415 0.071 1.00 0.00 H new ATOM 0 HB2 LEU A 100 -5.781 -6.578 0.749 1.00 0.00 H new ATOM 0 HB3 LEU A 100 -4.665 -7.643 1.581 1.00 0.00 H new ATOM 0 HG LEU A 100 -3.292 -6.181 0.392 1.00 0.00 H new ATOM 0 HD11 LEU A 100 -2.185 -7.536 -1.336 1.00 0.00 H new ATOM 0 HD12 LEU A 100 -2.582 -8.492 0.112 1.00 0.00 H new ATOM 0 HD13 LEU A 100 -3.579 -8.643 -1.354 1.00 0.00 H new ATOM 0 HD21 LEU A 100 -3.584 -5.582 -1.974 1.00 0.00 H new ATOM 0 HD22 LEU A 100 -5.069 -6.561 -2.034 1.00 0.00 H new ATOM 0 HD23 LEU A 100 -4.993 -5.123 -0.988 1.00 0.00 H new ATOM 1583 N GLN A 101 -6.844 -10.083 1.589 1.00 0.00 N ATOM 1584 CA GLN A 101 -7.926 -10.596 2.411 1.00 0.00 C ATOM 1585 C GLN A 101 -7.792 -10.083 3.846 1.00 0.00 C ATOM 1586 O GLN A 101 -6.698 -10.082 4.409 1.00 0.00 O ATOM 1587 CB GLN A 101 -7.963 -12.125 2.378 1.00 0.00 C ATOM 1588 CG GLN A 101 -9.159 -12.663 3.166 1.00 0.00 C ATOM 1589 CD GLN A 101 -8.748 -13.841 4.051 1.00 0.00 C ATOM 1590 OE1 GLN A 101 -8.585 -13.720 5.254 1.00 0.00 O ATOM 1591 NE2 GLN A 101 -8.591 -14.985 3.390 1.00 0.00 N ATOM 0 H GLN A 101 -5.973 -10.610 1.653 1.00 0.00 H new ATOM 0 HA GLN A 101 -8.869 -10.233 2.002 1.00 0.00 H new ATOM 0 HB2 GLN A 101 -8.020 -12.468 1.345 1.00 0.00 H new ATOM 0 HB3 GLN A 101 -7.039 -12.524 2.796 1.00 0.00 H new ATOM 0 HG2 GLN A 101 -9.579 -11.869 3.783 1.00 0.00 H new ATOM 0 HG3 GLN A 101 -9.942 -12.978 2.476 1.00 0.00 H new ATOM 0 HE21 GLN A 101 -8.744 -15.017 2.382 1.00 0.00 H new ATOM 0 HE22 GLN A 101 -8.318 -15.830 3.891 1.00 0.00 H new ATOM 1600 N ALA A 102 -8.920 -9.658 4.397 1.00 0.00 N ATOM 1601 CA ALA A 102 -8.942 -9.143 5.756 1.00 0.00 C ATOM 1602 C ALA A 102 -9.535 -10.201 6.688 1.00 0.00 C ATOM 1603 O ALA A 102 -10.309 -11.053 6.253 1.00 0.00 O ATOM 1604 CB ALA A 102 -9.725 -7.830 5.791 1.00 0.00 C ATOM 0 H ALA A 102 -9.825 -9.660 3.927 1.00 0.00 H new ATOM 0 HA ALA A 102 -7.931 -8.929 6.102 1.00 0.00 H new ATOM 0 HB1 ALA A 102 -9.742 -7.443 6.810 1.00 0.00 H new ATOM 0 HB2 ALA A 102 -9.246 -7.103 5.135 1.00 0.00 H new ATOM 0 HB3 ALA A 102 -10.746 -8.006 5.453 1.00 0.00 H new ATOM 1610 N ALA A 103 -9.150 -10.113 7.952 1.00 0.00 N ATOM 1611 CA ALA A 103 -9.634 -11.052 8.950 1.00 0.00 C ATOM 1612 C ALA A 103 -11.123 -10.803 9.199 1.00 0.00 C ATOM 1613 O ALA A 103 -11.943 -11.704 9.032 1.00 0.00 O ATOM 1614 CB ALA A 103 -8.799 -10.919 10.225 1.00 0.00 C ATOM 0 H ALA A 103 -8.508 -9.405 8.309 1.00 0.00 H new ATOM 0 HA ALA A 103 -9.526 -12.077 8.596 1.00 0.00 H new ATOM 0 HB1 ALA A 103 -9.162 -11.623 10.973 1.00 0.00 H new ATOM 0 HB2 ALA A 103 -7.755 -11.135 10.000 1.00 0.00 H new ATOM 0 HB3 ALA A 103 -8.884 -9.903 10.611 1.00 0.00 H new ATOM 1620 N THR A 104 -11.426 -9.575 9.594 1.00 0.00 N ATOM 1621 CA THR A 104 -12.802 -9.196 9.868 1.00 0.00 C ATOM 1622 C THR A 104 -13.382 -8.410 8.691 1.00 0.00 C ATOM 1623 O THR A 104 -12.640 -7.906 7.850 1.00 0.00 O ATOM 1624 CB THR A 104 -12.825 -8.420 11.187 1.00 0.00 C ATOM 1625 OG1 THR A 104 -11.817 -7.426 11.022 1.00 0.00 O ATOM 1626 CG2 THR A 104 -12.332 -9.258 12.368 1.00 0.00 C ATOM 0 H THR A 104 -10.743 -8.830 9.731 1.00 0.00 H new ATOM 0 HA THR A 104 -13.440 -10.073 9.979 1.00 0.00 H new ATOM 0 HB THR A 104 -13.839 -8.073 11.387 1.00 0.00 H new ATOM 0 HG1 THR A 104 -11.765 -6.875 11.831 1.00 0.00 H new ATOM 0 HG21 THR A 104 -12.369 -8.660 13.279 1.00 0.00 H new ATOM 0 HG22 THR A 104 -12.969 -10.135 12.483 1.00 0.00 H new ATOM 0 HG23 THR A 104 -11.306 -9.577 12.185 1.00 0.00 H new ATOM 1634 N PRO A 105 -14.740 -8.329 8.668 1.00 0.00 N ATOM 1635 CA PRO A 105 -15.429 -7.613 7.608 1.00 0.00 C ATOM 1636 C PRO A 105 -15.307 -6.100 7.798 1.00 0.00 C ATOM 1637 O PRO A 105 -15.727 -5.327 6.939 1.00 0.00 O ATOM 1638 CB PRO A 105 -16.865 -8.106 7.670 1.00 0.00 C ATOM 1639 CG PRO A 105 -17.035 -8.724 9.048 1.00 0.00 C ATOM 1640 CD PRO A 105 -15.651 -8.914 9.647 1.00 0.00 C ATOM 0 HA PRO A 105 -14.999 -7.802 6.624 1.00 0.00 H new ATOM 0 HB2 PRO A 105 -17.566 -7.285 7.521 1.00 0.00 H new ATOM 0 HB3 PRO A 105 -17.061 -8.838 6.887 1.00 0.00 H new ATOM 0 HG2 PRO A 105 -17.641 -8.078 9.684 1.00 0.00 H new ATOM 0 HG3 PRO A 105 -17.555 -9.680 8.976 1.00 0.00 H new ATOM 0 HD2 PRO A 105 -15.566 -8.417 10.613 1.00 0.00 H new ATOM 0 HD3 PRO A 105 -15.432 -9.969 9.811 1.00 0.00 H new ATOM 1648 N LYS A 106 -14.730 -5.723 8.930 1.00 0.00 N ATOM 1649 CA LYS A 106 -14.548 -4.316 9.244 1.00 0.00 C ATOM 1650 C LYS A 106 -13.160 -3.870 8.781 1.00 0.00 C ATOM 1651 O LYS A 106 -12.987 -2.742 8.323 1.00 0.00 O ATOM 1652 CB LYS A 106 -14.811 -4.060 10.730 1.00 0.00 C ATOM 1653 CG LYS A 106 -15.150 -2.590 10.981 1.00 0.00 C ATOM 1654 CD LYS A 106 -16.503 -2.450 11.680 1.00 0.00 C ATOM 1655 CE LYS A 106 -17.296 -1.273 11.110 1.00 0.00 C ATOM 1656 NZ LYS A 106 -17.472 -0.220 12.135 1.00 0.00 N ATOM 0 H LYS A 106 -14.383 -6.367 9.640 1.00 0.00 H new ATOM 0 HA LYS A 106 -15.275 -3.709 8.705 1.00 0.00 H new ATOM 0 HB2 LYS A 106 -15.633 -4.690 11.071 1.00 0.00 H new ATOM 0 HB3 LYS A 106 -13.932 -4.339 11.312 1.00 0.00 H new ATOM 0 HG2 LYS A 106 -14.372 -2.133 11.593 1.00 0.00 H new ATOM 0 HG3 LYS A 106 -15.169 -2.051 10.034 1.00 0.00 H new ATOM 0 HD2 LYS A 106 -17.075 -3.370 11.560 1.00 0.00 H new ATOM 0 HD3 LYS A 106 -16.350 -2.306 12.750 1.00 0.00 H new ATOM 0 HE2 LYS A 106 -16.776 -0.862 10.244 1.00 0.00 H new ATOM 0 HE3 LYS A 106 -18.270 -1.617 10.763 1.00 0.00 H new ATOM 0 HZ1 LYS A 106 -18.012 0.571 11.731 1.00 0.00 H new ATOM 0 HZ2 LYS A 106 -17.987 -0.611 12.949 1.00 0.00 H new ATOM 0 HZ3 LYS A 106 -16.540 0.121 12.446 1.00 0.00 H new ATOM 1670 N GLU A 107 -12.205 -4.779 8.916 1.00 0.00 N ATOM 1671 CA GLU A 107 -10.838 -4.494 8.516 1.00 0.00 C ATOM 1672 C GLU A 107 -10.773 -4.201 7.016 1.00 0.00 C ATOM 1673 O GLU A 107 -10.147 -3.230 6.595 1.00 0.00 O ATOM 1674 CB GLU A 107 -9.905 -5.647 8.891 1.00 0.00 C ATOM 1675 CG GLU A 107 -8.439 -5.240 8.733 1.00 0.00 C ATOM 1676 CD GLU A 107 -7.768 -5.067 10.097 1.00 0.00 C ATOM 1677 OE1 GLU A 107 -7.845 -3.937 10.628 1.00 0.00 O ATOM 1678 OE2 GLU A 107 -7.194 -6.067 10.579 1.00 0.00 O ATOM 0 H GLU A 107 -12.352 -5.714 9.297 1.00 0.00 H new ATOM 0 HA GLU A 107 -10.501 -3.608 9.054 1.00 0.00 H new ATOM 0 HB2 GLU A 107 -10.093 -5.951 9.921 1.00 0.00 H new ATOM 0 HB3 GLU A 107 -10.116 -6.510 8.260 1.00 0.00 H new ATOM 0 HG2 GLU A 107 -7.908 -5.997 8.156 1.00 0.00 H new ATOM 0 HG3 GLU A 107 -8.375 -4.308 8.171 1.00 0.00 H new ATOM 1685 N ARG A 108 -11.429 -5.061 6.249 1.00 0.00 N ATOM 1686 CA ARG A 108 -11.454 -4.907 4.804 1.00 0.00 C ATOM 1687 C ARG A 108 -11.849 -3.477 4.430 1.00 0.00 C ATOM 1688 O ARG A 108 -11.243 -2.873 3.545 1.00 0.00 O ATOM 1689 CB ARG A 108 -12.439 -5.885 4.163 1.00 0.00 C ATOM 1690 CG ARG A 108 -12.637 -5.571 2.679 1.00 0.00 C ATOM 1691 CD ARG A 108 -14.069 -5.111 2.402 1.00 0.00 C ATOM 1692 NE ARG A 108 -14.947 -6.284 2.197 1.00 0.00 N ATOM 1693 CZ ARG A 108 -16.281 -6.214 2.086 1.00 0.00 C ATOM 1694 NH1 ARG A 108 -16.898 -5.027 2.160 1.00 0.00 N ATOM 1695 NH2 ARG A 108 -16.997 -7.332 1.901 1.00 0.00 N ATOM 0 H ARG A 108 -11.947 -5.866 6.601 1.00 0.00 H new ATOM 0 HA ARG A 108 -10.453 -5.121 4.430 1.00 0.00 H new ATOM 0 HB2 ARG A 108 -12.070 -6.904 4.276 1.00 0.00 H new ATOM 0 HB3 ARG A 108 -13.397 -5.833 4.680 1.00 0.00 H new ATOM 0 HG2 ARG A 108 -11.936 -4.795 2.371 1.00 0.00 H new ATOM 0 HG3 ARG A 108 -12.414 -6.456 2.083 1.00 0.00 H new ATOM 0 HD2 ARG A 108 -14.436 -4.514 3.237 1.00 0.00 H new ATOM 0 HD3 ARG A 108 -14.090 -4.472 1.519 1.00 0.00 H new ATOM 0 HE ARG A 108 -14.510 -7.204 2.136 1.00 0.00 H new ATOM 0 HH11 ARG A 108 -16.353 -4.177 2.301 1.00 0.00 H new ATOM 0 HH12 ARG A 108 -17.913 -4.974 2.076 1.00 0.00 H new ATOM 0 HH21 ARG A 108 -16.527 -8.235 1.845 1.00 0.00 H new ATOM 0 HH22 ARG A 108 -18.012 -7.279 1.816 1.00 0.00 H new ATOM 1709 N THR A 109 -12.862 -2.976 5.122 1.00 0.00 N ATOM 1710 CA THR A 109 -13.345 -1.629 4.873 1.00 0.00 C ATOM 1711 C THR A 109 -12.322 -0.598 5.355 1.00 0.00 C ATOM 1712 O THR A 109 -11.946 0.305 4.609 1.00 0.00 O ATOM 1713 CB THR A 109 -14.713 -1.486 5.541 1.00 0.00 C ATOM 1714 OG1 THR A 109 -15.640 -1.823 4.512 1.00 0.00 O ATOM 1715 CG2 THR A 109 -15.049 -0.033 5.884 1.00 0.00 C ATOM 0 H THR A 109 -13.361 -3.479 5.855 1.00 0.00 H new ATOM 0 HA THR A 109 -13.468 -1.444 3.806 1.00 0.00 H new ATOM 0 HB THR A 109 -14.737 -2.088 6.449 1.00 0.00 H new ATOM 0 HG1 THR A 109 -16.554 -1.758 4.861 1.00 0.00 H new ATOM 0 HG21 THR A 109 -16.031 0.012 6.356 1.00 0.00 H new ATOM 0 HG22 THR A 109 -14.299 0.362 6.569 1.00 0.00 H new ATOM 0 HG23 THR A 109 -15.057 0.564 4.972 1.00 0.00 H new ATOM 1723 N GLU A 110 -11.902 -0.767 6.600 1.00 0.00 N ATOM 1724 CA GLU A 110 -10.930 0.137 7.191 1.00 0.00 C ATOM 1725 C GLU A 110 -9.718 0.290 6.270 1.00 0.00 C ATOM 1726 O GLU A 110 -9.391 1.398 5.847 1.00 0.00 O ATOM 1727 CB GLU A 110 -10.506 -0.344 8.580 1.00 0.00 C ATOM 1728 CG GLU A 110 -11.619 -0.111 9.604 1.00 0.00 C ATOM 1729 CD GLU A 110 -11.050 0.429 10.918 1.00 0.00 C ATOM 1730 OE1 GLU A 110 -10.757 1.644 10.952 1.00 0.00 O ATOM 1731 OE2 GLU A 110 -10.921 -0.384 11.858 1.00 0.00 O ATOM 0 H GLU A 110 -12.217 -1.517 7.216 1.00 0.00 H new ATOM 0 HA GLU A 110 -11.398 1.114 7.309 1.00 0.00 H new ATOM 0 HB2 GLU A 110 -10.258 -1.405 8.542 1.00 0.00 H new ATOM 0 HB3 GLU A 110 -9.604 0.183 8.892 1.00 0.00 H new ATOM 0 HG2 GLU A 110 -12.347 0.594 9.202 1.00 0.00 H new ATOM 0 HG3 GLU A 110 -12.149 -1.045 9.790 1.00 0.00 H new ATOM 1738 N TRP A 111 -9.085 -0.839 5.987 1.00 0.00 N ATOM 1739 CA TRP A 111 -7.916 -0.845 5.124 1.00 0.00 C ATOM 1740 C TRP A 111 -8.187 0.104 3.954 1.00 0.00 C ATOM 1741 O TRP A 111 -7.445 1.062 3.743 1.00 0.00 O ATOM 1742 CB TRP A 111 -7.573 -2.266 4.674 1.00 0.00 C ATOM 1743 CG TRP A 111 -6.478 -2.936 5.506 1.00 0.00 C ATOM 1744 CD1 TRP A 111 -6.576 -4.032 6.270 1.00 0.00 C ATOM 1745 CD2 TRP A 111 -5.106 -2.505 5.627 1.00 0.00 C ATOM 1746 NE1 TRP A 111 -5.373 -4.338 6.872 1.00 0.00 N ATOM 1747 CE2 TRP A 111 -4.450 -3.380 6.469 1.00 0.00 C ATOM 1748 CE3 TRP A 111 -4.441 -1.412 5.044 1.00 0.00 C ATOM 1749 CZ2 TRP A 111 -3.097 -3.253 6.804 1.00 0.00 C ATOM 1750 CZ3 TRP A 111 -3.088 -1.299 5.389 1.00 0.00 C ATOM 1751 CH2 TRP A 111 -2.414 -2.171 6.235 1.00 0.00 C ATOM 0 H TRP A 111 -9.359 -1.756 6.340 1.00 0.00 H new ATOM 0 HA TRP A 111 -7.037 -0.491 5.663 1.00 0.00 H new ATOM 0 HB2 TRP A 111 -8.474 -2.878 4.719 1.00 0.00 H new ATOM 0 HB3 TRP A 111 -7.257 -2.239 3.631 1.00 0.00 H new ATOM 0 HD1 TRP A 111 -7.483 -4.604 6.399 1.00 0.00 H new ATOM 0 HE1 TRP A 111 -5.194 -5.123 7.498 1.00 0.00 H new ATOM 0 HE3 TRP A 111 -4.934 -0.715 4.383 1.00 0.00 H new ATOM 0 HZ2 TRP A 111 -2.606 -3.952 7.465 1.00 0.00 H new ATOM 0 HZ3 TRP A 111 -2.530 -0.476 4.968 1.00 0.00 H new ATOM 0 HH2 TRP A 111 -1.368 -2.015 6.453 1.00 0.00 H new ATOM 1762 N ILE A 112 -9.251 -0.197 3.225 1.00 0.00 N ATOM 1763 CA ILE A 112 -9.629 0.617 2.082 1.00 0.00 C ATOM 1764 C ILE A 112 -9.505 2.096 2.452 1.00 0.00 C ATOM 1765 O ILE A 112 -8.654 2.805 1.915 1.00 0.00 O ATOM 1766 CB ILE A 112 -11.020 0.223 1.581 1.00 0.00 C ATOM 1767 CG1 ILE A 112 -10.935 -0.927 0.575 1.00 0.00 C ATOM 1768 CG2 ILE A 112 -11.759 1.434 1.006 1.00 0.00 C ATOM 1769 CD1 ILE A 112 -11.998 -1.988 0.865 1.00 0.00 C ATOM 0 H ILE A 112 -9.863 -0.993 3.403 1.00 0.00 H new ATOM 0 HA ILE A 112 -8.952 0.439 1.246 1.00 0.00 H new ATOM 0 HB ILE A 112 -11.601 -0.135 2.431 1.00 0.00 H new ATOM 0 HG12 ILE A 112 -11.067 -0.541 -0.436 1.00 0.00 H new ATOM 0 HG13 ILE A 112 -9.944 -1.379 0.617 1.00 0.00 H new ATOM 0 HG21 ILE A 112 -12.745 1.127 0.657 1.00 0.00 H new ATOM 0 HG22 ILE A 112 -11.869 2.194 1.779 1.00 0.00 H new ATOM 0 HG23 ILE A 112 -11.191 1.845 0.172 1.00 0.00 H new ATOM 0 HD11 ILE A 112 -11.916 -2.794 0.136 1.00 0.00 H new ATOM 0 HD12 ILE A 112 -11.848 -2.389 1.867 1.00 0.00 H new ATOM 0 HD13 ILE A 112 -12.989 -1.538 0.799 1.00 0.00 H new ATOM 1781 N LYS A 113 -10.366 2.520 3.366 1.00 0.00 N ATOM 1782 CA LYS A 113 -10.363 3.902 3.813 1.00 0.00 C ATOM 1783 C LYS A 113 -8.960 4.274 4.298 1.00 0.00 C ATOM 1784 O LYS A 113 -8.595 5.448 4.311 1.00 0.00 O ATOM 1785 CB LYS A 113 -11.456 4.129 4.860 1.00 0.00 C ATOM 1786 CG LYS A 113 -12.759 3.439 4.450 1.00 0.00 C ATOM 1787 CD LYS A 113 -13.962 4.091 5.133 1.00 0.00 C ATOM 1788 CE LYS A 113 -13.897 3.908 6.651 1.00 0.00 C ATOM 1789 NZ LYS A 113 -14.446 5.097 7.341 1.00 0.00 N ATOM 0 H LYS A 113 -11.070 1.930 3.809 1.00 0.00 H new ATOM 0 HA LYS A 113 -10.602 4.570 2.986 1.00 0.00 H new ATOM 0 HB2 LYS A 113 -11.125 3.746 5.825 1.00 0.00 H new ATOM 0 HB3 LYS A 113 -11.630 5.198 4.984 1.00 0.00 H new ATOM 0 HG2 LYS A 113 -12.878 3.492 3.368 1.00 0.00 H new ATOM 0 HG3 LYS A 113 -12.714 2.383 4.715 1.00 0.00 H new ATOM 0 HD2 LYS A 113 -13.989 5.154 4.892 1.00 0.00 H new ATOM 0 HD3 LYS A 113 -14.884 3.653 4.750 1.00 0.00 H new ATOM 0 HE2 LYS A 113 -14.459 3.020 6.941 1.00 0.00 H new ATOM 0 HE3 LYS A 113 -12.864 3.746 6.960 1.00 0.00 H new ATOM 0 HZ1 LYS A 113 -14.394 4.956 8.370 1.00 0.00 H new ATOM 0 HZ2 LYS A 113 -13.892 5.937 7.078 1.00 0.00 H new ATOM 0 HZ3 LYS A 113 -15.438 5.234 7.060 1.00 0.00 H new ATOM 1803 N ALA A 114 -8.212 3.251 4.686 1.00 0.00 N ATOM 1804 CA ALA A 114 -6.858 3.455 5.170 1.00 0.00 C ATOM 1805 C ALA A 114 -5.946 3.801 3.992 1.00 0.00 C ATOM 1806 O ALA A 114 -5.321 4.861 3.977 1.00 0.00 O ATOM 1807 CB ALA A 114 -6.391 2.207 5.922 1.00 0.00 C ATOM 0 H ALA A 114 -8.519 2.278 4.675 1.00 0.00 H new ATOM 0 HA ALA A 114 -6.823 4.290 5.870 1.00 0.00 H new ATOM 0 HB1 ALA A 114 -5.375 2.360 6.285 1.00 0.00 H new ATOM 0 HB2 ALA A 114 -7.054 2.022 6.767 1.00 0.00 H new ATOM 0 HB3 ALA A 114 -6.411 1.349 5.250 1.00 0.00 H new ATOM 1813 N ILE A 115 -5.899 2.888 3.033 1.00 0.00 N ATOM 1814 CA ILE A 115 -5.074 3.084 1.853 1.00 0.00 C ATOM 1815 C ILE A 115 -5.451 4.408 1.186 1.00 0.00 C ATOM 1816 O ILE A 115 -4.584 5.131 0.698 1.00 0.00 O ATOM 1817 CB ILE A 115 -5.176 1.875 0.921 1.00 0.00 C ATOM 1818 CG1 ILE A 115 -4.515 0.644 1.546 1.00 0.00 C ATOM 1819 CG2 ILE A 115 -4.599 2.196 -0.459 1.00 0.00 C ATOM 1820 CD1 ILE A 115 -5.506 -0.518 1.647 1.00 0.00 C ATOM 0 H ILE A 115 -6.419 2.011 3.049 1.00 0.00 H new ATOM 0 HA ILE A 115 -4.023 3.155 2.131 1.00 0.00 H new ATOM 0 HB ILE A 115 -6.231 1.639 0.782 1.00 0.00 H new ATOM 0 HG12 ILE A 115 -3.656 0.343 0.946 1.00 0.00 H new ATOM 0 HG13 ILE A 115 -4.139 0.893 2.538 1.00 0.00 H new ATOM 0 HG21 ILE A 115 -4.684 1.320 -1.102 1.00 0.00 H new ATOM 0 HG22 ILE A 115 -5.152 3.025 -0.901 1.00 0.00 H new ATOM 0 HG23 ILE A 115 -3.549 2.472 -0.359 1.00 0.00 H new ATOM 0 HD11 ILE A 115 -5.011 -1.380 2.094 1.00 0.00 H new ATOM 0 HD12 ILE A 115 -6.352 -0.222 2.268 1.00 0.00 H new ATOM 0 HD13 ILE A 115 -5.862 -0.780 0.651 1.00 0.00 H new ATOM 1832 N GLN A 116 -6.747 4.685 1.185 1.00 0.00 N ATOM 1833 CA GLN A 116 -7.250 5.909 0.586 1.00 0.00 C ATOM 1834 C GLN A 116 -6.664 7.130 1.299 1.00 0.00 C ATOM 1835 O GLN A 116 -6.034 7.978 0.670 1.00 0.00 O ATOM 1836 CB GLN A 116 -8.780 5.943 0.608 1.00 0.00 C ATOM 1837 CG GLN A 116 -9.365 4.696 -0.057 1.00 0.00 C ATOM 1838 CD GLN A 116 -10.258 5.075 -1.241 1.00 0.00 C ATOM 1839 OE1 GLN A 116 -9.993 6.011 -1.977 1.00 0.00 O ATOM 1840 NE2 GLN A 116 -11.327 4.296 -1.383 1.00 0.00 N ATOM 0 H GLN A 116 -7.464 4.082 1.590 1.00 0.00 H new ATOM 0 HA GLN A 116 -6.934 5.935 -0.457 1.00 0.00 H new ATOM 0 HB2 GLN A 116 -9.131 6.009 1.638 1.00 0.00 H new ATOM 0 HB3 GLN A 116 -9.135 6.835 0.092 1.00 0.00 H new ATOM 0 HG2 GLN A 116 -8.557 4.048 -0.398 1.00 0.00 H new ATOM 0 HG3 GLN A 116 -9.943 4.128 0.672 1.00 0.00 H new ATOM 0 HE21 GLN A 116 -11.489 3.529 -0.731 1.00 0.00 H new ATOM 0 HE22 GLN A 116 -11.984 4.466 -2.144 1.00 0.00 H new ATOM 1849 N MET A 117 -6.893 7.179 2.603 1.00 0.00 N ATOM 1850 CA MET A 117 -6.396 8.281 3.409 1.00 0.00 C ATOM 1851 C MET A 117 -4.978 8.673 2.987 1.00 0.00 C ATOM 1852 O MET A 117 -4.661 9.858 2.890 1.00 0.00 O ATOM 1853 CB MET A 117 -6.395 7.876 4.884 1.00 0.00 C ATOM 1854 CG MET A 117 -4.975 7.882 5.454 1.00 0.00 C ATOM 1855 SD MET A 117 -5.021 7.563 7.210 1.00 0.00 S ATOM 1856 CE MET A 117 -5.781 5.948 7.211 1.00 0.00 C ATOM 0 H MET A 117 -7.416 6.473 3.121 1.00 0.00 H new ATOM 0 HA MET A 117 -7.051 9.139 3.259 1.00 0.00 H new ATOM 0 HB2 MET A 117 -7.022 8.562 5.453 1.00 0.00 H new ATOM 0 HB3 MET A 117 -6.830 6.882 4.992 1.00 0.00 H new ATOM 0 HG2 MET A 117 -4.370 7.125 4.954 1.00 0.00 H new ATOM 0 HG3 MET A 117 -4.502 8.845 5.263 1.00 0.00 H new ATOM 0 HE1 MET A 117 -5.586 5.455 8.163 1.00 0.00 H new ATOM 0 HE2 MET A 117 -6.857 6.052 7.069 1.00 0.00 H new ATOM 0 HE3 MET A 117 -5.365 5.349 6.401 1.00 0.00 H new ATOM 1866 N ALA A 118 -4.164 7.656 2.746 1.00 0.00 N ATOM 1867 CA ALA A 118 -2.788 7.880 2.336 1.00 0.00 C ATOM 1868 C ALA A 118 -2.760 8.300 0.866 1.00 0.00 C ATOM 1869 O ALA A 118 -2.116 9.286 0.510 1.00 0.00 O ATOM 1870 CB ALA A 118 -1.966 6.616 2.597 1.00 0.00 C ATOM 0 H ALA A 118 -4.431 6.675 2.827 1.00 0.00 H new ATOM 0 HA ALA A 118 -2.341 8.686 2.917 1.00 0.00 H new ATOM 0 HB1 ALA A 118 -0.934 6.783 2.290 1.00 0.00 H new ATOM 0 HB2 ALA A 118 -1.994 6.377 3.660 1.00 0.00 H new ATOM 0 HB3 ALA A 118 -2.384 5.786 2.027 1.00 0.00 H new ATOM 1876 N SER A 119 -3.468 7.532 0.050 1.00 0.00 N ATOM 1877 CA SER A 119 -3.532 7.813 -1.374 1.00 0.00 C ATOM 1878 C SER A 119 -3.890 9.283 -1.602 1.00 0.00 C ATOM 1879 O SER A 119 -3.358 9.921 -2.509 1.00 0.00 O ATOM 1880 CB SER A 119 -4.549 6.905 -2.069 1.00 0.00 C ATOM 1881 OG SER A 119 -5.891 7.302 -1.799 1.00 0.00 O ATOM 0 H SER A 119 -4.002 6.716 0.348 1.00 0.00 H new ATOM 0 HA SER A 119 -2.552 7.613 -1.806 1.00 0.00 H new ATOM 0 HB2 SER A 119 -4.375 6.923 -3.145 1.00 0.00 H new ATOM 0 HB3 SER A 119 -4.402 5.877 -1.739 1.00 0.00 H new ATOM 0 HG SER A 119 -5.941 7.699 -0.904 1.00 0.00 H new ATOM 1887 N ARG A 120 -4.788 9.777 -0.763 1.00 0.00 N ATOM 1888 CA ARG A 120 -5.223 11.160 -0.861 1.00 0.00 C ATOM 1889 C ARG A 120 -4.030 12.105 -0.699 1.00 0.00 C ATOM 1890 O ARG A 120 -4.123 13.288 -1.020 1.00 0.00 O ATOM 1891 CB ARG A 120 -6.271 11.485 0.205 1.00 0.00 C ATOM 1892 CG ARG A 120 -7.240 10.317 0.396 1.00 0.00 C ATOM 1893 CD ARG A 120 -8.692 10.799 0.375 1.00 0.00 C ATOM 1894 NE ARG A 120 -9.383 10.377 1.614 1.00 0.00 N ATOM 1895 CZ ARG A 120 -10.473 10.979 2.108 1.00 0.00 C ATOM 1896 NH1 ARG A 120 -11.003 12.033 1.473 1.00 0.00 N ATOM 1897 NH2 ARG A 120 -11.034 10.527 3.239 1.00 0.00 N ATOM 0 H ARG A 120 -5.227 9.244 -0.012 1.00 0.00 H new ATOM 0 HA ARG A 120 -5.669 11.298 -1.846 1.00 0.00 H new ATOM 0 HB2 ARG A 120 -5.776 11.710 1.150 1.00 0.00 H new ATOM 0 HB3 ARG A 120 -6.825 12.378 -0.085 1.00 0.00 H new ATOM 0 HG2 ARG A 120 -7.086 9.580 -0.392 1.00 0.00 H new ATOM 0 HG3 ARG A 120 -7.032 9.819 1.343 1.00 0.00 H new ATOM 0 HD2 ARG A 120 -8.722 11.885 0.284 1.00 0.00 H new ATOM 0 HD3 ARG A 120 -9.207 10.391 -0.495 1.00 0.00 H new ATOM 0 HE ARG A 120 -9.006 9.578 2.123 1.00 0.00 H new ATOM 0 HH11 ARG A 120 -10.577 12.378 0.613 1.00 0.00 H new ATOM 0 HH12 ARG A 120 -11.833 12.491 1.850 1.00 0.00 H new ATOM 0 HH21 ARG A 120 -10.631 9.725 3.723 1.00 0.00 H new ATOM 0 HH22 ARG A 120 -11.864 10.985 3.615 1.00 0.00 H new