USER MOD reduce.3.24.130724 H: found=0, std=0, add=705, rem=0, adj=18 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 94:sc= 0.713 USER MOD Set 1.2: A 64 HIS : no HE2:sc= -10.7! C(o=-10!,f=-11!) USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 GLN : amide:sc= -6.45! C(o=-6.4!,f=-6.2!) USER MOD Single : A 23 CYS SG : rot 23:sc= 0.298 USER MOD Single : A 26 LYS NZ :NH3+ -159:sc= 0.00354 (180deg=0) USER MOD Single : A 27 GLN : amide:sc= -0.176 K(o=-0.18,f=-0.87) USER MOD Single : A 35 LYS NZ :NH3+ 172:sc= 0 (180deg=-0.0214) USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 HIS : no HD1:sc= -5.21! C(o=-5.2!,f=-5.4!) USER MOD Single : A 50 TYR OH : rot 173:sc= -1.17 USER MOD Single : A 51 TYR OH : rot 180:sc= 0 USER MOD Single : A 68 CYS SG : rot 140:sc= -2.08! 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 :FLIP amide:sc= -4.21 F(o=-6.4!,f=-4.2) USER MOD Single : A 92 THR OG1 : rot 143:sc= -0.915 USER MOD Single : A 97 HIS : no HD1:sc= -5.26! C(o=-5.3!,f=-7.5!) USER MOD Single : A 98 TYR OH : rot 180:sc= -0.177 USER MOD Single : A 101 GLN : amide:sc= -1.7 K(o=-1.7,f=-2.5!) USER MOD Single : A 104 THR OG1 : rot 180:sc= 0.0527 USER MOD Single : A 106 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 109 THR OG1 : rot 180:sc= -0.183 USER MOD Single : A 113 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 116 GLN :FLIP amide:sc= -2.36! C(o=-3.3!,f=-2.4!) USER MOD Single : A 117 MET CE :methyl 169:sc= -2.8! (180deg=-3.5!) USER MOD Single : A 119 SER OG : rot -23:sc= -0.483 USER MOD ----------------------------------------------------------------- ATOM 223 N VAL A 17 4.926 8.471 8.389 1.00 0.00 N ATOM 224 CA VAL A 17 4.357 7.825 9.560 1.00 0.00 C ATOM 225 C VAL A 17 3.423 6.699 9.112 1.00 0.00 C ATOM 226 O VAL A 17 2.981 6.674 7.964 1.00 0.00 O ATOM 227 CB VAL A 17 3.663 8.862 10.444 1.00 0.00 C ATOM 228 CG1 VAL A 17 2.389 9.387 9.778 1.00 0.00 C ATOM 229 CG2 VAL A 17 3.360 8.287 11.829 1.00 0.00 C ATOM 0 HA VAL A 17 5.142 7.374 10.167 1.00 0.00 H new ATOM 0 HB VAL A 17 4.345 9.703 10.572 1.00 0.00 H new ATOM 0 HG11 VAL A 17 1.915 10.123 10.428 1.00 0.00 H new ATOM 0 HG12 VAL A 17 2.642 9.853 8.826 1.00 0.00 H new ATOM 0 HG13 VAL A 17 1.701 8.559 9.605 1.00 0.00 H new ATOM 0 HG21 VAL A 17 2.867 9.045 12.438 1.00 0.00 H new ATOM 0 HG22 VAL A 17 2.706 7.420 11.728 1.00 0.00 H new ATOM 0 HG23 VAL A 17 4.291 7.985 12.309 1.00 0.00 H new ATOM 239 N ILE A 18 3.149 5.796 10.042 1.00 0.00 N ATOM 240 CA ILE A 18 2.274 4.671 9.758 1.00 0.00 C ATOM 241 C ILE A 18 0.845 5.023 10.175 1.00 0.00 C ATOM 242 O ILE A 18 0.638 5.721 11.166 1.00 0.00 O ATOM 243 CB ILE A 18 2.811 3.397 10.413 1.00 0.00 C ATOM 244 CG1 ILE A 18 4.209 3.059 9.892 1.00 0.00 C ATOM 245 CG2 ILE A 18 1.834 2.233 10.231 1.00 0.00 C ATOM 246 CD1 ILE A 18 4.198 2.873 8.373 1.00 0.00 C ATOM 0 H ILE A 18 3.517 5.820 10.993 1.00 0.00 H new ATOM 0 HA ILE A 18 2.251 4.466 8.688 1.00 0.00 H new ATOM 0 HB ILE A 18 2.902 3.576 11.484 1.00 0.00 H new ATOM 0 HG12 ILE A 18 4.903 3.856 10.159 1.00 0.00 H new ATOM 0 HG13 ILE A 18 4.569 2.148 10.371 1.00 0.00 H new ATOM 0 HG21 ILE A 18 2.240 1.340 10.706 1.00 0.00 H new ATOM 0 HG22 ILE A 18 0.878 2.485 10.690 1.00 0.00 H new ATOM 0 HG23 ILE A 18 1.687 2.044 9.168 1.00 0.00 H new ATOM 0 HD11 ILE A 18 5.204 2.634 8.028 1.00 0.00 H new ATOM 0 HD12 ILE A 18 3.521 2.060 8.111 1.00 0.00 H new ATOM 0 HD13 ILE A 18 3.861 3.793 7.896 1.00 0.00 H new ATOM 258 N ILE A 19 -0.104 4.522 9.398 1.00 0.00 N ATOM 259 CA ILE A 19 -1.508 4.775 9.675 1.00 0.00 C ATOM 260 C ILE A 19 -2.176 3.476 10.131 1.00 0.00 C ATOM 261 O ILE A 19 -2.991 3.483 11.051 1.00 0.00 O ATOM 262 CB ILE A 19 -2.185 5.422 8.465 1.00 0.00 C ATOM 263 CG1 ILE A 19 -1.664 4.820 7.158 1.00 0.00 C ATOM 264 CG2 ILE A 19 -2.028 6.944 8.498 1.00 0.00 C ATOM 265 CD1 ILE A 19 -0.460 5.606 6.634 1.00 0.00 C ATOM 0 H ILE A 19 0.071 3.942 8.577 1.00 0.00 H new ATOM 0 HA ILE A 19 -1.612 5.491 10.490 1.00 0.00 H new ATOM 0 HB ILE A 19 -3.252 5.207 8.515 1.00 0.00 H new ATOM 0 HG12 ILE A 19 -1.381 3.780 7.320 1.00 0.00 H new ATOM 0 HG13 ILE A 19 -2.457 4.822 6.411 1.00 0.00 H new ATOM 0 HG21 ILE A 19 -2.518 7.379 7.627 1.00 0.00 H new ATOM 0 HG22 ILE A 19 -2.485 7.337 9.406 1.00 0.00 H new ATOM 0 HG23 ILE A 19 -0.969 7.201 8.485 1.00 0.00 H new ATOM 0 HD11 ILE A 19 -0.109 5.157 5.705 1.00 0.00 H new ATOM 0 HD12 ILE A 19 -0.752 6.640 6.450 1.00 0.00 H new ATOM 0 HD13 ILE A 19 0.340 5.581 7.373 1.00 0.00 H new ATOM 277 N LYS A 20 -1.804 2.392 9.465 1.00 0.00 N ATOM 278 CA LYS A 20 -2.356 1.088 9.791 1.00 0.00 C ATOM 279 C LYS A 20 -1.329 0.006 9.455 1.00 0.00 C ATOM 280 O LYS A 20 -0.523 0.172 8.541 1.00 0.00 O ATOM 281 CB LYS A 20 -3.706 0.890 9.098 1.00 0.00 C ATOM 282 CG LYS A 20 -4.358 -0.424 9.532 1.00 0.00 C ATOM 283 CD LYS A 20 -5.855 -0.425 9.217 1.00 0.00 C ATOM 284 CE LYS A 20 -6.477 -1.791 9.513 1.00 0.00 C ATOM 285 NZ LYS A 20 -6.935 -1.858 10.919 1.00 0.00 N ATOM 0 H LYS A 20 -1.127 2.390 8.702 1.00 0.00 H new ATOM 0 HA LYS A 20 -2.558 1.016 10.860 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -4.367 1.724 9.336 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -3.567 0.892 8.017 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -3.875 -1.259 9.023 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -4.208 -0.573 10.601 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -6.355 0.342 9.808 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -6.010 -0.171 8.168 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -7.317 -1.968 8.842 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -5.747 -2.578 9.324 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -7.355 -2.792 11.103 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -6.126 -1.710 11.555 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -7.647 -1.119 11.088 1.00 0.00 H new ATOM 299 N GLN A 21 -1.391 -1.079 10.213 1.00 0.00 N ATOM 300 CA GLN A 21 -0.475 -2.189 10.008 1.00 0.00 C ATOM 301 C GLN A 21 -1.170 -3.515 10.323 1.00 0.00 C ATOM 302 O GLN A 21 -2.165 -3.543 11.046 1.00 0.00 O ATOM 303 CB GLN A 21 0.790 -2.019 10.851 1.00 0.00 C ATOM 304 CG GLN A 21 1.632 -0.846 10.345 1.00 0.00 C ATOM 305 CD GLN A 21 2.675 -0.431 11.385 1.00 0.00 C ATOM 306 OE1 GLN A 21 2.415 0.347 12.288 1.00 0.00 O ATOM 307 NE2 GLN A 21 3.868 -0.994 11.209 1.00 0.00 N ATOM 0 H GLN A 21 -2.061 -1.213 10.970 1.00 0.00 H new ATOM 0 HA GLN A 21 -0.175 -2.198 8.960 1.00 0.00 H new ATOM 0 HB2 GLN A 21 0.517 -1.853 11.893 1.00 0.00 H new ATOM 0 HB3 GLN A 21 1.379 -2.935 10.818 1.00 0.00 H new ATOM 0 HG2 GLN A 21 2.130 -1.125 9.416 1.00 0.00 H new ATOM 0 HG3 GLN A 21 0.984 0.000 10.117 1.00 0.00 H new ATOM 0 HE21 GLN A 21 4.019 -1.637 10.432 1.00 0.00 H new ATOM 0 HE22 GLN A 21 4.632 -0.782 11.851 1.00 0.00 H new ATOM 316 N GLY A 22 -0.618 -4.583 9.765 1.00 0.00 N ATOM 317 CA GLY A 22 -1.172 -5.909 9.977 1.00 0.00 C ATOM 318 C GLY A 22 -0.690 -6.884 8.901 1.00 0.00 C ATOM 319 O GLY A 22 0.178 -6.547 8.097 1.00 0.00 O ATOM 0 H GLY A 22 0.207 -4.556 9.166 1.00 0.00 H new ATOM 0 HA2 GLY A 22 -0.881 -6.275 10.961 1.00 0.00 H new ATOM 0 HA3 GLY A 22 -2.261 -5.858 9.965 1.00 0.00 H new ATOM 323 N CYS A 23 -1.275 -8.072 8.919 1.00 0.00 N ATOM 324 CA CYS A 23 -0.916 -9.098 7.954 1.00 0.00 C ATOM 325 C CYS A 23 -2.095 -9.293 6.999 1.00 0.00 C ATOM 326 O CYS A 23 -3.249 -9.297 7.425 1.00 0.00 O ATOM 327 CB CYS A 23 -0.515 -10.405 8.641 1.00 0.00 C ATOM 328 SG CYS A 23 -1.948 -11.106 9.538 1.00 0.00 S ATOM 0 H CYS A 23 -1.995 -8.348 9.586 1.00 0.00 H new ATOM 0 HA CYS A 23 -0.041 -8.779 7.388 1.00 0.00 H new ATOM 0 HB2 CYS A 23 -0.154 -11.119 7.900 1.00 0.00 H new ATOM 0 HB3 CYS A 23 0.306 -10.224 9.335 1.00 0.00 H new ATOM 0 HG CYS A 23 -3.049 -10.640 9.028 1.00 0.00 H new ATOM 334 N LEU A 24 -1.764 -9.451 5.726 1.00 0.00 N ATOM 335 CA LEU A 24 -2.782 -9.646 4.707 1.00 0.00 C ATOM 336 C LEU A 24 -2.392 -10.834 3.825 1.00 0.00 C ATOM 337 O LEU A 24 -1.235 -11.252 3.816 1.00 0.00 O ATOM 338 CB LEU A 24 -3.014 -8.351 3.927 1.00 0.00 C ATOM 339 CG LEU A 24 -4.083 -7.412 4.490 1.00 0.00 C ATOM 340 CD1 LEU A 24 -4.069 -6.066 3.762 1.00 0.00 C ATOM 341 CD2 LEU A 24 -5.465 -8.069 4.453 1.00 0.00 C ATOM 0 H LEU A 24 -0.806 -9.448 5.377 1.00 0.00 H new ATOM 0 HA LEU A 24 -3.740 -9.890 5.166 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -2.071 -7.807 3.876 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -3.288 -8.610 2.904 1.00 0.00 H new ATOM 0 HG LEU A 24 -3.848 -7.215 5.536 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -4.838 -5.417 4.181 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -3.093 -5.597 3.884 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -4.266 -6.224 2.702 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -6.206 -7.380 4.859 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -5.724 -8.315 3.423 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -5.451 -8.980 5.051 1.00 0.00 H new ATOM 353 N LEU A 25 -3.380 -11.344 3.104 1.00 0.00 N ATOM 354 CA LEU A 25 -3.155 -12.475 2.221 1.00 0.00 C ATOM 355 C LEU A 25 -3.020 -11.974 0.782 1.00 0.00 C ATOM 356 O LEU A 25 -4.020 -11.712 0.115 1.00 0.00 O ATOM 357 CB LEU A 25 -4.252 -13.526 2.405 1.00 0.00 C ATOM 358 CG LEU A 25 -4.530 -13.959 3.846 1.00 0.00 C ATOM 359 CD1 LEU A 25 -3.305 -14.639 4.460 1.00 0.00 C ATOM 360 CD2 LEU A 25 -5.014 -12.779 4.690 1.00 0.00 C ATOM 0 H LEU A 25 -4.338 -10.994 3.114 1.00 0.00 H new ATOM 0 HA LEU A 25 -2.220 -12.975 2.475 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -5.176 -13.136 1.979 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -3.982 -14.410 1.827 1.00 0.00 H new ATOM 0 HG LEU A 25 -5.334 -14.695 3.832 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -3.529 -14.937 5.484 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -3.046 -15.521 3.874 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -2.465 -13.944 4.460 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -5.204 -13.115 5.709 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -4.250 -12.002 4.700 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -5.933 -12.379 4.262 1.00 0.00 H new ATOM 372 N LYS A 26 -1.775 -11.856 0.345 1.00 0.00 N ATOM 373 CA LYS A 26 -1.496 -11.390 -1.003 1.00 0.00 C ATOM 374 C LYS A 26 -1.525 -12.579 -1.965 1.00 0.00 C ATOM 375 O LYS A 26 -0.713 -13.496 -1.850 1.00 0.00 O ATOM 376 CB LYS A 26 -0.184 -10.604 -1.038 1.00 0.00 C ATOM 377 CG LYS A 26 -0.317 -9.353 -1.909 1.00 0.00 C ATOM 378 CD LYS A 26 1.039 -8.942 -2.488 1.00 0.00 C ATOM 379 CE LYS A 26 1.582 -10.017 -3.431 1.00 0.00 C ATOM 380 NZ LYS A 26 1.857 -9.443 -4.767 1.00 0.00 N ATOM 0 H LYS A 26 -0.948 -12.075 0.900 1.00 0.00 H new ATOM 0 HA LYS A 26 -2.267 -10.693 -1.332 1.00 0.00 H new ATOM 0 HB2 LYS A 26 0.100 -10.318 -0.025 1.00 0.00 H new ATOM 0 HB3 LYS A 26 0.614 -11.238 -1.425 1.00 0.00 H new ATOM 0 HG2 LYS A 26 -1.020 -9.543 -2.720 1.00 0.00 H new ATOM 0 HG3 LYS A 26 -0.727 -8.535 -1.317 1.00 0.00 H new ATOM 0 HD2 LYS A 26 0.938 -7.999 -3.026 1.00 0.00 H new ATOM 0 HD3 LYS A 26 1.748 -8.772 -1.678 1.00 0.00 H new ATOM 0 HE2 LYS A 26 2.495 -10.445 -3.017 1.00 0.00 H new ATOM 0 HE3 LYS A 26 0.861 -10.830 -3.519 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 1.877 -10.205 -5.475 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 1.110 -8.762 -5.013 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 2.777 -8.958 -4.754 1.00 0.00 H new ATOM 394 N GLN A 27 -2.470 -12.526 -2.893 1.00 0.00 N ATOM 395 CA GLN A 27 -2.616 -13.587 -3.874 1.00 0.00 C ATOM 396 C GLN A 27 -1.800 -13.267 -5.128 1.00 0.00 C ATOM 397 O GLN A 27 -1.746 -12.116 -5.560 1.00 0.00 O ATOM 398 CB GLN A 27 -4.089 -13.815 -4.221 1.00 0.00 C ATOM 399 CG GLN A 27 -4.496 -15.266 -3.961 1.00 0.00 C ATOM 400 CD GLN A 27 -5.271 -15.840 -5.149 1.00 0.00 C ATOM 401 OE1 GLN A 27 -4.993 -15.553 -6.302 1.00 0.00 O ATOM 402 NE2 GLN A 27 -6.257 -16.663 -4.804 1.00 0.00 N ATOM 0 H GLN A 27 -3.142 -11.764 -2.986 1.00 0.00 H new ATOM 0 HA GLN A 27 -2.232 -14.511 -3.441 1.00 0.00 H new ATOM 0 HB2 GLN A 27 -4.713 -13.147 -3.628 1.00 0.00 H new ATOM 0 HB3 GLN A 27 -4.262 -13.567 -5.268 1.00 0.00 H new ATOM 0 HG2 GLN A 27 -3.607 -15.869 -3.777 1.00 0.00 H new ATOM 0 HG3 GLN A 27 -5.110 -15.320 -3.062 1.00 0.00 H new ATOM 0 HE21 GLN A 27 -6.436 -16.860 -3.819 1.00 0.00 H new ATOM 0 HE22 GLN A 27 -6.834 -17.097 -5.524 1.00 0.00 H new ATOM 543 N LYS A 35 -1.233 -16.454 0.683 1.00 0.00 N ATOM 544 CA LYS A 35 0.014 -16.402 1.426 1.00 0.00 C ATOM 545 C LYS A 35 -0.009 -15.197 2.368 1.00 0.00 C ATOM 546 O LYS A 35 -0.117 -14.056 1.921 1.00 0.00 O ATOM 547 CB LYS A 35 1.208 -16.413 0.470 1.00 0.00 C ATOM 548 CG LYS A 35 1.869 -17.792 0.433 1.00 0.00 C ATOM 549 CD LYS A 35 3.244 -17.724 -0.234 1.00 0.00 C ATOM 550 CE LYS A 35 4.291 -18.477 0.590 1.00 0.00 C ATOM 551 NZ LYS A 35 3.978 -19.924 0.627 1.00 0.00 N ATOM 0 HA LYS A 35 0.125 -17.291 2.047 1.00 0.00 H new ATOM 0 HB2 LYS A 35 0.879 -16.137 -0.532 1.00 0.00 H new ATOM 0 HB3 LYS A 35 1.936 -15.665 0.784 1.00 0.00 H new ATOM 0 HG2 LYS A 35 1.972 -18.177 1.448 1.00 0.00 H new ATOM 0 HG3 LYS A 35 1.232 -18.490 -0.110 1.00 0.00 H new ATOM 0 HD2 LYS A 35 3.188 -18.151 -1.235 1.00 0.00 H new ATOM 0 HD3 LYS A 35 3.546 -16.683 -0.348 1.00 0.00 H new ATOM 0 HE2 LYS A 35 5.281 -18.324 0.159 1.00 0.00 H new ATOM 0 HE3 LYS A 35 4.320 -18.079 1.604 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 4.765 -20.438 1.072 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 3.109 -20.077 1.177 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 3.840 -20.274 -0.342 1.00 0.00 H new ATOM 565 N VAL A 36 0.096 -15.491 3.656 1.00 0.00 N ATOM 566 CA VAL A 36 0.089 -14.445 4.665 1.00 0.00 C ATOM 567 C VAL A 36 1.321 -13.557 4.482 1.00 0.00 C ATOM 568 O VAL A 36 2.408 -14.050 4.184 1.00 0.00 O ATOM 569 CB VAL A 36 0.002 -15.066 6.061 1.00 0.00 C ATOM 570 CG1 VAL A 36 0.323 -14.032 7.142 1.00 0.00 C ATOM 571 CG2 VAL A 36 -1.371 -15.697 6.296 1.00 0.00 C ATOM 0 H VAL A 36 0.186 -16.438 4.024 1.00 0.00 H new ATOM 0 HA VAL A 36 -0.789 -13.810 4.550 1.00 0.00 H new ATOM 0 HB VAL A 36 0.749 -15.858 6.122 1.00 0.00 H new ATOM 0 HG11 VAL A 36 0.254 -14.499 8.124 1.00 0.00 H new ATOM 0 HG12 VAL A 36 1.333 -13.650 6.992 1.00 0.00 H new ATOM 0 HG13 VAL A 36 -0.389 -13.209 7.081 1.00 0.00 H new ATOM 0 HG21 VAL A 36 -1.406 -16.131 7.295 1.00 0.00 H new ATOM 0 HG22 VAL A 36 -2.143 -14.933 6.205 1.00 0.00 H new ATOM 0 HG23 VAL A 36 -1.544 -16.478 5.555 1.00 0.00 H new ATOM 581 N ARG A 37 1.110 -12.262 4.666 1.00 0.00 N ATOM 582 CA ARG A 37 2.189 -11.300 4.525 1.00 0.00 C ATOM 583 C ARG A 37 1.881 -10.034 5.327 1.00 0.00 C ATOM 584 O ARG A 37 0.718 -9.721 5.577 1.00 0.00 O ATOM 585 CB ARG A 37 2.404 -10.925 3.057 1.00 0.00 C ATOM 586 CG ARG A 37 3.493 -11.794 2.423 1.00 0.00 C ATOM 587 CD ARG A 37 4.444 -10.947 1.573 1.00 0.00 C ATOM 588 NE ARG A 37 5.122 -11.800 0.572 1.00 0.00 N ATOM 589 CZ ARG A 37 4.509 -12.350 -0.485 1.00 0.00 C ATOM 590 NH1 ARG A 37 3.200 -12.141 -0.685 1.00 0.00 N ATOM 591 NH2 ARG A 37 5.204 -13.110 -1.342 1.00 0.00 N ATOM 0 H ARG A 37 0.207 -11.857 4.912 1.00 0.00 H new ATOM 0 HA ARG A 37 3.098 -11.764 4.907 1.00 0.00 H new ATOM 0 HB2 ARG A 37 1.471 -11.046 2.507 1.00 0.00 H new ATOM 0 HB3 ARG A 37 2.684 -9.874 2.984 1.00 0.00 H new ATOM 0 HG2 ARG A 37 4.055 -12.306 3.204 1.00 0.00 H new ATOM 0 HG3 ARG A 37 3.034 -12.564 1.803 1.00 0.00 H new ATOM 0 HD2 ARG A 37 3.889 -10.154 1.071 1.00 0.00 H new ATOM 0 HD3 ARG A 37 5.183 -10.463 2.212 1.00 0.00 H new ATOM 0 HE ARG A 37 6.118 -11.981 0.694 1.00 0.00 H new ATOM 0 HH11 ARG A 37 2.670 -11.563 -0.032 1.00 0.00 H new ATOM 0 HH12 ARG A 37 2.734 -12.560 -1.490 1.00 0.00 H new ATOM 0 HH21 ARG A 37 6.200 -13.270 -1.190 1.00 0.00 H new ATOM 0 HH22 ARG A 37 4.737 -13.529 -2.147 1.00 0.00 H new ATOM 605 N LYS A 38 2.943 -9.340 5.708 1.00 0.00 N ATOM 606 CA LYS A 38 2.801 -8.115 6.477 1.00 0.00 C ATOM 607 C LYS A 38 2.690 -6.927 5.520 1.00 0.00 C ATOM 608 O LYS A 38 3.489 -6.795 4.594 1.00 0.00 O ATOM 609 CB LYS A 38 3.939 -7.984 7.491 1.00 0.00 C ATOM 610 CG LYS A 38 3.784 -6.712 8.328 1.00 0.00 C ATOM 611 CD LYS A 38 4.035 -6.997 9.810 1.00 0.00 C ATOM 612 CE LYS A 38 4.579 -5.757 10.522 1.00 0.00 C ATOM 613 NZ LYS A 38 6.059 -5.779 10.544 1.00 0.00 N ATOM 0 H LYS A 38 3.906 -9.603 5.499 1.00 0.00 H new ATOM 0 HA LYS A 38 1.883 -8.138 7.064 1.00 0.00 H new ATOM 0 HB2 LYS A 38 3.950 -8.855 8.146 1.00 0.00 H new ATOM 0 HB3 LYS A 38 4.896 -7.966 6.969 1.00 0.00 H new ATOM 0 HG2 LYS A 38 4.483 -5.954 7.976 1.00 0.00 H new ATOM 0 HG3 LYS A 38 2.781 -6.306 8.197 1.00 0.00 H new ATOM 0 HD2 LYS A 38 3.107 -7.316 10.285 1.00 0.00 H new ATOM 0 HD3 LYS A 38 4.744 -7.819 9.911 1.00 0.00 H new ATOM 0 HE2 LYS A 38 4.230 -4.857 10.015 1.00 0.00 H new ATOM 0 HE3 LYS A 38 4.195 -5.718 11.541 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 6.412 -4.930 11.031 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 6.386 -6.628 11.048 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 6.421 -5.794 9.569 1.00 0.00 H new ATOM 627 N PHE A 39 1.693 -6.094 5.775 1.00 0.00 N ATOM 628 CA PHE A 39 1.467 -4.921 4.947 1.00 0.00 C ATOM 629 C PHE A 39 1.380 -3.655 5.802 1.00 0.00 C ATOM 630 O PHE A 39 0.440 -3.488 6.577 1.00 0.00 O ATOM 631 CB PHE A 39 0.131 -5.130 4.230 1.00 0.00 C ATOM 632 CG PHE A 39 0.266 -5.709 2.820 1.00 0.00 C ATOM 633 CD1 PHE A 39 0.539 -4.888 1.771 1.00 0.00 C ATOM 634 CD2 PHE A 39 0.113 -7.045 2.616 1.00 0.00 C ATOM 635 CE1 PHE A 39 0.664 -5.425 0.463 1.00 0.00 C ATOM 636 CE2 PHE A 39 0.238 -7.582 1.308 1.00 0.00 C ATOM 637 CZ PHE A 39 0.511 -6.761 0.259 1.00 0.00 C ATOM 0 H PHE A 39 1.032 -6.207 6.543 1.00 0.00 H new ATOM 0 HA PHE A 39 2.291 -4.797 4.244 1.00 0.00 H new ATOM 0 HB2 PHE A 39 -0.490 -5.797 4.828 1.00 0.00 H new ATOM 0 HB3 PHE A 39 -0.392 -4.175 4.171 1.00 0.00 H new ATOM 0 HD1 PHE A 39 0.661 -3.827 1.933 1.00 0.00 H new ATOM 0 HD2 PHE A 39 -0.104 -7.697 3.449 1.00 0.00 H new ATOM 0 HE1 PHE A 39 0.881 -4.773 -0.370 1.00 0.00 H new ATOM 0 HE2 PHE A 39 0.116 -8.643 1.146 1.00 0.00 H new ATOM 0 HZ PHE A 39 0.606 -7.170 -0.736 1.00 0.00 H new ATOM 647 N ILE A 40 2.374 -2.795 5.632 1.00 0.00 N ATOM 648 CA ILE A 40 2.422 -1.550 6.378 1.00 0.00 C ATOM 649 C ILE A 40 2.097 -0.385 5.440 1.00 0.00 C ATOM 650 O ILE A 40 2.690 -0.263 4.369 1.00 0.00 O ATOM 651 CB ILE A 40 3.767 -1.405 7.094 1.00 0.00 C ATOM 652 CG1 ILE A 40 4.049 -2.620 7.981 1.00 0.00 C ATOM 653 CG2 ILE A 40 3.832 -0.094 7.880 1.00 0.00 C ATOM 654 CD1 ILE A 40 5.520 -2.665 8.397 1.00 0.00 C ATOM 0 H ILE A 40 3.152 -2.937 4.988 1.00 0.00 H new ATOM 0 HA ILE A 40 1.667 -1.548 7.164 1.00 0.00 H new ATOM 0 HB ILE A 40 4.553 -1.367 6.340 1.00 0.00 H new ATOM 0 HG12 ILE A 40 3.417 -2.581 8.869 1.00 0.00 H new ATOM 0 HG13 ILE A 40 3.791 -3.534 7.445 1.00 0.00 H new ATOM 0 HG21 ILE A 40 4.798 -0.016 8.379 1.00 0.00 H new ATOM 0 HG22 ILE A 40 3.708 0.746 7.197 1.00 0.00 H new ATOM 0 HG23 ILE A 40 3.036 -0.077 8.625 1.00 0.00 H new ATOM 0 HD11 ILE A 40 5.694 -3.538 9.027 1.00 0.00 H new ATOM 0 HD12 ILE A 40 6.148 -2.728 7.508 1.00 0.00 H new ATOM 0 HD13 ILE A 40 5.769 -1.761 8.953 1.00 0.00 H new ATOM 666 N LEU A 41 1.157 0.440 5.876 1.00 0.00 N ATOM 667 CA LEU A 41 0.746 1.590 5.089 1.00 0.00 C ATOM 668 C LEU A 41 1.278 2.866 5.743 1.00 0.00 C ATOM 669 O LEU A 41 1.198 3.025 6.960 1.00 0.00 O ATOM 670 CB LEU A 41 -0.771 1.588 4.889 1.00 0.00 C ATOM 671 CG LEU A 41 -1.360 2.829 4.215 1.00 0.00 C ATOM 672 CD1 LEU A 41 -1.121 2.798 2.704 1.00 0.00 C ATOM 673 CD2 LEU A 41 -2.843 2.986 4.558 1.00 0.00 C ATOM 0 H LEU A 41 0.668 0.335 6.765 1.00 0.00 H new ATOM 0 HA LEU A 41 1.176 1.541 4.089 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -1.038 0.715 4.294 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -1.246 1.468 5.863 1.00 0.00 H new ATOM 0 HG LEU A 41 -0.844 3.707 4.604 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -1.549 3.691 2.249 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -0.050 2.768 2.506 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -1.593 1.912 2.279 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -3.238 3.875 4.067 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -3.391 2.108 4.215 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -2.958 3.086 5.637 1.00 0.00 H new ATOM 685 N ARG A 42 1.810 3.745 4.905 1.00 0.00 N ATOM 686 CA ARG A 42 2.355 5.003 5.387 1.00 0.00 C ATOM 687 C ARG A 42 1.960 6.146 4.450 1.00 0.00 C ATOM 688 O ARG A 42 2.200 6.077 3.245 1.00 0.00 O ATOM 689 CB ARG A 42 3.880 4.939 5.488 1.00 0.00 C ATOM 690 CG ARG A 42 4.529 5.142 4.117 1.00 0.00 C ATOM 691 CD ARG A 42 6.041 4.915 4.187 1.00 0.00 C ATOM 692 NE ARG A 42 6.325 3.540 4.654 1.00 0.00 N ATOM 693 CZ ARG A 42 6.431 3.192 5.944 1.00 0.00 C ATOM 694 NH1 ARG A 42 6.277 4.116 6.902 1.00 0.00 N ATOM 695 NH2 ARG A 42 6.691 1.919 6.276 1.00 0.00 N ATOM 0 H ARG A 42 1.875 3.611 3.896 1.00 0.00 H new ATOM 0 HA ARG A 42 1.944 5.184 6.380 1.00 0.00 H new ATOM 0 HB2 ARG A 42 4.235 5.704 6.179 1.00 0.00 H new ATOM 0 HB3 ARG A 42 4.181 3.975 5.898 1.00 0.00 H new ATOM 0 HG2 ARG A 42 4.087 4.454 3.396 1.00 0.00 H new ATOM 0 HG3 ARG A 42 4.325 6.152 3.760 1.00 0.00 H new ATOM 0 HD2 ARG A 42 6.487 5.074 3.205 1.00 0.00 H new ATOM 0 HD3 ARG A 42 6.495 5.639 4.864 1.00 0.00 H new ATOM 0 HE ARG A 42 6.448 2.812 3.950 1.00 0.00 H new ATOM 0 HH11 ARG A 42 6.079 5.084 6.650 1.00 0.00 H new ATOM 0 HH12 ARG A 42 6.358 3.851 7.884 1.00 0.00 H new ATOM 0 HH21 ARG A 42 6.808 1.215 5.547 1.00 0.00 H new ATOM 0 HH22 ARG A 42 6.772 1.654 7.258 1.00 0.00 H new ATOM 709 N GLU A 43 1.360 7.170 5.038 1.00 0.00 N ATOM 710 CA GLU A 43 0.929 8.327 4.271 1.00 0.00 C ATOM 711 C GLU A 43 1.926 9.475 4.437 1.00 0.00 C ATOM 712 O GLU A 43 2.492 9.660 5.514 1.00 0.00 O ATOM 713 CB GLU A 43 -0.480 8.761 4.678 1.00 0.00 C ATOM 714 CG GLU A 43 -0.536 9.119 6.165 1.00 0.00 C ATOM 715 CD GLU A 43 -0.919 10.587 6.361 1.00 0.00 C ATOM 716 OE1 GLU A 43 -1.771 11.061 5.578 1.00 0.00 O ATOM 717 OE2 GLU A 43 -0.352 11.202 7.290 1.00 0.00 O ATOM 0 H GLU A 43 1.162 7.223 6.037 1.00 0.00 H new ATOM 0 HA GLU A 43 0.897 8.049 3.218 1.00 0.00 H new ATOM 0 HB2 GLU A 43 -0.786 9.621 4.082 1.00 0.00 H new ATOM 0 HB3 GLU A 43 -1.187 7.959 4.467 1.00 0.00 H new ATOM 0 HG2 GLU A 43 -1.261 8.480 6.670 1.00 0.00 H new ATOM 0 HG3 GLU A 43 0.433 8.928 6.626 1.00 0.00 H new ATOM 724 N ASP A 44 2.110 10.218 3.356 1.00 0.00 N ATOM 725 CA ASP A 44 3.029 11.344 3.368 1.00 0.00 C ATOM 726 C ASP A 44 4.425 10.853 3.756 1.00 0.00 C ATOM 727 O ASP A 44 4.866 11.056 4.886 1.00 0.00 O ATOM 728 CB ASP A 44 2.596 12.396 4.391 1.00 0.00 C ATOM 729 CG ASP A 44 3.157 13.799 4.152 1.00 0.00 C ATOM 730 OD1 ASP A 44 2.909 14.329 3.047 1.00 0.00 O ATOM 731 OD2 ASP A 44 3.821 14.311 5.079 1.00 0.00 O ATOM 0 H ASP A 44 1.638 10.062 2.465 1.00 0.00 H new ATOM 0 HA ASP A 44 3.032 11.788 2.373 1.00 0.00 H new ATOM 0 HB2 ASP A 44 1.507 12.452 4.394 1.00 0.00 H new ATOM 0 HB3 ASP A 44 2.901 12.063 5.383 1.00 0.00 H new ATOM 736 N PRO A 45 5.098 10.199 2.772 1.00 0.00 N ATOM 737 CA PRO A 45 4.503 10.001 1.462 1.00 0.00 C ATOM 738 C PRO A 45 3.434 8.907 1.505 1.00 0.00 C ATOM 739 O PRO A 45 3.312 8.193 2.499 1.00 0.00 O ATOM 740 CB PRO A 45 5.668 9.658 0.548 1.00 0.00 C ATOM 741 CG PRO A 45 6.800 9.221 1.462 1.00 0.00 C ATOM 742 CD PRO A 45 6.440 9.633 2.880 1.00 0.00 C ATOM 0 HA PRO A 45 3.978 10.885 1.101 1.00 0.00 H new ATOM 0 HB2 PRO A 45 5.398 8.863 -0.147 1.00 0.00 H new ATOM 0 HB3 PRO A 45 5.961 10.520 -0.052 1.00 0.00 H new ATOM 0 HG2 PRO A 45 6.943 8.142 1.403 1.00 0.00 H new ATOM 0 HG3 PRO A 45 7.738 9.685 1.156 1.00 0.00 H new ATOM 0 HD2 PRO A 45 6.456 8.779 3.557 1.00 0.00 H new ATOM 0 HD3 PRO A 45 7.148 10.364 3.272 1.00 0.00 H new ATOM 750 N ALA A 46 2.688 8.810 0.414 1.00 0.00 N ATOM 751 CA ALA A 46 1.634 7.815 0.315 1.00 0.00 C ATOM 752 C ALA A 46 2.187 6.558 -0.359 1.00 0.00 C ATOM 753 O ALA A 46 2.249 6.483 -1.585 1.00 0.00 O ATOM 754 CB ALA A 46 0.443 8.406 -0.442 1.00 0.00 C ATOM 0 H ALA A 46 2.793 9.404 -0.409 1.00 0.00 H new ATOM 0 HA ALA A 46 1.281 7.530 1.306 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -0.348 7.659 -0.516 1.00 0.00 H new ATOM 0 HB2 ALA A 46 0.069 9.279 0.093 1.00 0.00 H new ATOM 0 HB3 ALA A 46 0.758 8.701 -1.443 1.00 0.00 H new ATOM 760 N TYR A 47 2.575 5.601 0.471 1.00 0.00 N ATOM 761 CA TYR A 47 3.120 4.351 -0.029 1.00 0.00 C ATOM 762 C TYR A 47 2.716 3.178 0.867 1.00 0.00 C ATOM 763 O TYR A 47 2.321 3.377 2.015 1.00 0.00 O ATOM 764 CB TYR A 47 4.642 4.508 0.012 1.00 0.00 C ATOM 765 CG TYR A 47 5.248 5.038 -1.289 1.00 0.00 C ATOM 766 CD1 TYR A 47 5.142 4.300 -2.450 1.00 0.00 C ATOM 767 CD2 TYR A 47 5.901 6.254 -1.301 1.00 0.00 C ATOM 768 CE1 TYR A 47 5.712 4.798 -3.674 1.00 0.00 C ATOM 769 CE2 TYR A 47 6.472 6.752 -2.525 1.00 0.00 C ATOM 770 CZ TYR A 47 6.350 6.000 -3.652 1.00 0.00 C ATOM 771 OH TYR A 47 6.889 6.470 -4.808 1.00 0.00 O ATOM 0 H TYR A 47 2.523 5.667 1.488 1.00 0.00 H new ATOM 0 HA TYR A 47 2.747 4.145 -1.032 1.00 0.00 H new ATOM 0 HB2 TYR A 47 4.905 5.184 0.825 1.00 0.00 H new ATOM 0 HB3 TYR A 47 5.091 3.542 0.243 1.00 0.00 H new ATOM 0 HD1 TYR A 47 4.631 3.348 -2.440 1.00 0.00 H new ATOM 0 HD2 TYR A 47 5.984 6.832 -0.392 1.00 0.00 H new ATOM 0 HE1 TYR A 47 5.635 4.231 -4.590 1.00 0.00 H new ATOM 0 HE2 TYR A 47 6.986 7.702 -2.548 1.00 0.00 H new ATOM 0 HH TYR A 47 6.247 7.064 -5.250 1.00 0.00 H new ATOM 781 N LEU A 48 2.830 1.982 0.309 1.00 0.00 N ATOM 782 CA LEU A 48 2.482 0.778 1.043 1.00 0.00 C ATOM 783 C LEU A 48 3.608 -0.248 0.896 1.00 0.00 C ATOM 784 O LEU A 48 3.823 -0.788 -0.188 1.00 0.00 O ATOM 785 CB LEU A 48 1.113 0.256 0.599 1.00 0.00 C ATOM 786 CG LEU A 48 0.733 -1.139 1.099 1.00 0.00 C ATOM 787 CD1 LEU A 48 1.335 -2.225 0.206 1.00 0.00 C ATOM 788 CD2 LEU A 48 1.125 -1.321 2.567 1.00 0.00 C ATOM 0 H LEU A 48 3.159 1.821 -0.643 1.00 0.00 H new ATOM 0 HA LEU A 48 2.385 0.996 2.107 1.00 0.00 H new ATOM 0 HB2 LEU A 48 0.352 0.960 0.934 1.00 0.00 H new ATOM 0 HB3 LEU A 48 1.084 0.250 -0.491 1.00 0.00 H new ATOM 0 HG LEU A 48 -0.351 -1.239 1.040 1.00 0.00 H new ATOM 0 HD11 LEU A 48 1.049 -3.207 0.584 1.00 0.00 H new ATOM 0 HD12 LEU A 48 0.964 -2.106 -0.812 1.00 0.00 H new ATOM 0 HD13 LEU A 48 2.421 -2.137 0.209 1.00 0.00 H new ATOM 0 HD21 LEU A 48 0.844 -2.321 2.897 1.00 0.00 H new ATOM 0 HD22 LEU A 48 2.202 -1.193 2.675 1.00 0.00 H new ATOM 0 HD23 LEU A 48 0.609 -0.579 3.176 1.00 0.00 H new ATOM 800 N HIS A 49 4.297 -0.485 2.003 1.00 0.00 N ATOM 801 CA HIS A 49 5.395 -1.436 2.011 1.00 0.00 C ATOM 802 C HIS A 49 4.956 -2.722 2.714 1.00 0.00 C ATOM 803 O HIS A 49 4.142 -2.683 3.635 1.00 0.00 O ATOM 804 CB HIS A 49 6.646 -0.816 2.637 1.00 0.00 C ATOM 805 CG HIS A 49 7.364 0.160 1.736 1.00 0.00 C ATOM 806 ND1 HIS A 49 6.933 1.461 1.545 1.00 0.00 N ATOM 807 CD2 HIS A 49 8.488 0.012 0.977 1.00 0.00 C ATOM 808 CE1 HIS A 49 7.766 2.060 0.707 1.00 0.00 C ATOM 809 NE2 HIS A 49 8.729 1.160 0.355 1.00 0.00 N ATOM 0 H HIS A 49 4.116 -0.035 2.900 1.00 0.00 H new ATOM 0 HA HIS A 49 5.662 -1.696 0.987 1.00 0.00 H new ATOM 0 HB2 HIS A 49 6.364 -0.305 3.558 1.00 0.00 H new ATOM 0 HB3 HIS A 49 7.335 -1.614 2.914 1.00 0.00 H new ATOM 0 HD2 HIS A 49 9.081 -0.887 0.896 1.00 0.00 H new ATOM 0 HE1 HIS A 49 7.695 3.081 0.363 1.00 0.00 H new ATOM 0 HE2 HIS A 49 9.506 1.339 -0.281 1.00 0.00 H new ATOM 817 N TYR A 50 5.514 -3.831 2.253 1.00 0.00 N ATOM 818 CA TYR A 50 5.190 -5.127 2.826 1.00 0.00 C ATOM 819 C TYR A 50 6.459 -5.937 3.102 1.00 0.00 C ATOM 820 O TYR A 50 7.459 -5.787 2.402 1.00 0.00 O ATOM 821 CB TYR A 50 4.353 -5.855 1.773 1.00 0.00 C ATOM 822 CG TYR A 50 4.829 -5.635 0.336 1.00 0.00 C ATOM 823 CD1 TYR A 50 4.539 -4.453 -0.313 1.00 0.00 C ATOM 824 CD2 TYR A 50 5.550 -6.619 -0.310 1.00 0.00 C ATOM 825 CE1 TYR A 50 4.987 -4.246 -1.666 1.00 0.00 C ATOM 826 CE2 TYR A 50 5.999 -6.411 -1.662 1.00 0.00 C ATOM 827 CZ TYR A 50 5.695 -5.235 -2.274 1.00 0.00 C ATOM 828 OH TYR A 50 6.119 -5.039 -3.551 1.00 0.00 O ATOM 0 H TYR A 50 6.189 -3.860 1.489 1.00 0.00 H new ATOM 0 HA TYR A 50 4.661 -5.008 3.772 1.00 0.00 H new ATOM 0 HB2 TYR A 50 4.366 -6.923 1.989 1.00 0.00 H new ATOM 0 HB3 TYR A 50 3.317 -5.525 1.856 1.00 0.00 H new ATOM 0 HD1 TYR A 50 3.976 -3.683 0.193 1.00 0.00 H new ATOM 0 HD2 TYR A 50 5.777 -7.544 0.198 1.00 0.00 H new ATOM 0 HE1 TYR A 50 4.766 -3.326 -2.186 1.00 0.00 H new ATOM 0 HE2 TYR A 50 6.565 -7.172 -2.179 1.00 0.00 H new ATOM 0 HH TYR A 50 6.706 -5.777 -3.818 1.00 0.00 H new ATOM 838 N TYR A 51 6.375 -6.777 4.122 1.00 0.00 N ATOM 839 CA TYR A 51 7.504 -7.611 4.499 1.00 0.00 C ATOM 840 C TYR A 51 7.049 -9.036 4.821 1.00 0.00 C ATOM 841 O TYR A 51 5.939 -9.242 5.308 1.00 0.00 O ATOM 842 CB TYR A 51 8.092 -6.979 5.762 1.00 0.00 C ATOM 843 CG TYR A 51 8.059 -5.449 5.766 1.00 0.00 C ATOM 844 CD1 TYR A 51 6.851 -4.786 5.842 1.00 0.00 C ATOM 845 CD2 TYR A 51 9.236 -4.733 5.694 1.00 0.00 C ATOM 846 CE1 TYR A 51 6.819 -3.346 5.846 1.00 0.00 C ATOM 847 CE2 TYR A 51 9.205 -3.294 5.697 1.00 0.00 C ATOM 848 CZ TYR A 51 7.998 -2.671 5.773 1.00 0.00 C ATOM 849 OH TYR A 51 7.968 -1.311 5.777 1.00 0.00 O ATOM 0 H TYR A 51 5.543 -6.899 4.699 1.00 0.00 H new ATOM 0 HA TYR A 51 8.227 -7.669 3.685 1.00 0.00 H new ATOM 0 HB2 TYR A 51 7.543 -7.346 6.629 1.00 0.00 H new ATOM 0 HB3 TYR A 51 9.124 -7.310 5.875 1.00 0.00 H new ATOM 0 HD1 TYR A 51 5.930 -5.347 5.898 1.00 0.00 H new ATOM 0 HD2 TYR A 51 10.181 -5.252 5.635 1.00 0.00 H new ATOM 0 HE1 TYR A 51 5.881 -2.814 5.906 1.00 0.00 H new ATOM 0 HE2 TYR A 51 10.119 -2.722 5.640 1.00 0.00 H new ATOM 0 HH TYR A 51 8.883 -0.963 5.721 1.00 0.00 H new ATOM 859 N ASP A 52 7.931 -9.983 4.535 1.00 0.00 N ATOM 860 CA ASP A 52 7.634 -11.383 4.788 1.00 0.00 C ATOM 861 C ASP A 52 7.410 -11.590 6.287 1.00 0.00 C ATOM 862 O ASP A 52 8.133 -11.029 7.110 1.00 0.00 O ATOM 863 CB ASP A 52 8.796 -12.279 4.355 1.00 0.00 C ATOM 864 CG ASP A 52 8.757 -13.703 4.913 1.00 0.00 C ATOM 865 OD1 ASP A 52 9.120 -13.858 6.099 1.00 0.00 O ATOM 866 OD2 ASP A 52 8.364 -14.605 4.141 1.00 0.00 O ATOM 0 H ASP A 52 8.851 -9.808 4.131 1.00 0.00 H new ATOM 0 HA ASP A 52 6.743 -11.647 4.218 1.00 0.00 H new ATOM 0 HB2 ASP A 52 8.808 -12.332 3.266 1.00 0.00 H new ATOM 0 HB3 ASP A 52 9.731 -11.810 4.662 1.00 0.00 H new ATOM 871 N PRO A 53 6.380 -12.418 6.606 1.00 0.00 N ATOM 872 CA PRO A 53 6.052 -12.706 7.992 1.00 0.00 C ATOM 873 C PRO A 53 7.065 -13.674 8.605 1.00 0.00 C ATOM 874 O PRO A 53 7.548 -13.452 9.715 1.00 0.00 O ATOM 875 CB PRO A 53 4.640 -13.268 7.954 1.00 0.00 C ATOM 876 CG PRO A 53 4.406 -13.708 6.517 1.00 0.00 C ATOM 877 CD PRO A 53 5.502 -13.100 5.659 1.00 0.00 C ATOM 0 HA PRO A 53 6.097 -11.822 8.627 1.00 0.00 H new ATOM 0 HB2 PRO A 53 4.535 -14.107 8.642 1.00 0.00 H new ATOM 0 HB3 PRO A 53 3.912 -12.515 8.256 1.00 0.00 H new ATOM 0 HG2 PRO A 53 4.423 -14.795 6.443 1.00 0.00 H new ATOM 0 HG3 PRO A 53 3.425 -13.380 6.172 1.00 0.00 H new ATOM 0 HD2 PRO A 53 6.040 -13.867 5.102 1.00 0.00 H new ATOM 0 HD3 PRO A 53 5.092 -12.404 4.928 1.00 0.00 H new ATOM 885 N ALA A 54 7.357 -14.728 7.857 1.00 0.00 N ATOM 886 CA ALA A 54 8.304 -15.731 8.313 1.00 0.00 C ATOM 887 C ALA A 54 9.492 -15.037 8.982 1.00 0.00 C ATOM 888 O ALA A 54 10.120 -15.600 9.878 1.00 0.00 O ATOM 889 CB ALA A 54 8.729 -16.606 7.132 1.00 0.00 C ATOM 0 H ALA A 54 6.954 -14.909 6.938 1.00 0.00 H new ATOM 0 HA ALA A 54 7.844 -16.385 9.054 1.00 0.00 H new ATOM 0 HB1 ALA A 54 9.440 -17.359 7.474 1.00 0.00 H new ATOM 0 HB2 ALA A 54 7.853 -17.099 6.711 1.00 0.00 H new ATOM 0 HB3 ALA A 54 9.198 -15.985 6.369 1.00 0.00 H new ATOM 895 N GLY A 55 9.765 -13.825 8.521 1.00 0.00 N ATOM 896 CA GLY A 55 10.867 -13.049 9.064 1.00 0.00 C ATOM 897 C GLY A 55 11.760 -12.508 7.946 1.00 0.00 C ATOM 898 O GLY A 55 12.064 -13.220 6.990 1.00 0.00 O ATOM 0 H GLY A 55 9.242 -13.362 7.778 1.00 0.00 H new ATOM 0 HA2 GLY A 55 10.477 -12.221 9.655 1.00 0.00 H new ATOM 0 HA3 GLY A 55 11.457 -13.671 9.737 1.00 0.00 H new ATOM 902 N ALA A 56 12.155 -11.253 8.102 1.00 0.00 N ATOM 903 CA ALA A 56 13.007 -10.608 7.117 1.00 0.00 C ATOM 904 C ALA A 56 13.534 -9.291 7.690 1.00 0.00 C ATOM 905 O ALA A 56 13.212 -8.928 8.820 1.00 0.00 O ATOM 906 CB ALA A 56 12.224 -10.407 5.818 1.00 0.00 C ATOM 0 H ALA A 56 11.901 -10.665 8.896 1.00 0.00 H new ATOM 0 HA ALA A 56 13.868 -11.235 6.885 1.00 0.00 H new ATOM 0 HB1 ALA A 56 12.863 -9.923 5.079 1.00 0.00 H new ATOM 0 HB2 ALA A 56 11.897 -11.374 5.437 1.00 0.00 H new ATOM 0 HB3 ALA A 56 11.354 -9.780 6.011 1.00 0.00 H new ATOM 912 N GLU A 57 14.336 -8.611 6.884 1.00 0.00 N ATOM 913 CA GLU A 57 14.911 -7.342 7.296 1.00 0.00 C ATOM 914 C GLU A 57 14.382 -6.209 6.415 1.00 0.00 C ATOM 915 O GLU A 57 13.869 -5.212 6.922 1.00 0.00 O ATOM 916 CB GLU A 57 16.440 -7.396 7.260 1.00 0.00 C ATOM 917 CG GLU A 57 17.046 -6.432 8.282 1.00 0.00 C ATOM 918 CD GLU A 57 18.392 -5.892 7.795 1.00 0.00 C ATOM 919 OE1 GLU A 57 18.363 -5.004 6.916 1.00 0.00 O ATOM 920 OE2 GLU A 57 19.421 -6.379 8.313 1.00 0.00 O ATOM 0 H GLU A 57 14.601 -8.915 5.947 1.00 0.00 H new ATOM 0 HA GLU A 57 14.611 -7.146 8.325 1.00 0.00 H new ATOM 0 HB2 GLU A 57 16.777 -8.412 7.468 1.00 0.00 H new ATOM 0 HB3 GLU A 57 16.793 -7.142 6.261 1.00 0.00 H new ATOM 0 HG2 GLU A 57 16.360 -5.604 8.457 1.00 0.00 H new ATOM 0 HG3 GLU A 57 17.179 -6.943 9.235 1.00 0.00 H new ATOM 927 N ASP A 58 14.524 -6.399 5.112 1.00 0.00 N ATOM 928 CA ASP A 58 14.066 -5.404 4.156 1.00 0.00 C ATOM 929 C ASP A 58 12.738 -5.861 3.549 1.00 0.00 C ATOM 930 O ASP A 58 12.465 -7.058 3.473 1.00 0.00 O ATOM 931 CB ASP A 58 15.072 -5.231 3.017 1.00 0.00 C ATOM 932 CG ASP A 58 15.611 -6.536 2.426 1.00 0.00 C ATOM 933 OD1 ASP A 58 16.207 -7.309 3.207 1.00 0.00 O ATOM 934 OD2 ASP A 58 15.415 -6.730 1.207 1.00 0.00 O ATOM 0 H ASP A 58 14.950 -7.227 4.695 1.00 0.00 H new ATOM 0 HA ASP A 58 13.952 -4.457 4.683 1.00 0.00 H new ATOM 0 HB2 ASP A 58 14.600 -4.656 2.220 1.00 0.00 H new ATOM 0 HB3 ASP A 58 15.912 -4.640 3.381 1.00 0.00 H new ATOM 939 N PRO A 59 11.927 -4.857 3.120 1.00 0.00 N ATOM 940 CA PRO A 59 10.634 -5.143 2.521 1.00 0.00 C ATOM 941 C PRO A 59 10.795 -5.669 1.094 1.00 0.00 C ATOM 942 O PRO A 59 11.696 -5.247 0.371 1.00 0.00 O ATOM 943 CB PRO A 59 9.871 -3.830 2.588 1.00 0.00 C ATOM 944 CG PRO A 59 10.919 -2.749 2.793 1.00 0.00 C ATOM 945 CD PRO A 59 12.218 -3.428 3.193 1.00 0.00 C ATOM 0 HA PRO A 59 10.092 -5.930 3.045 1.00 0.00 H new ATOM 0 HB2 PRO A 59 9.307 -3.659 1.671 1.00 0.00 H new ATOM 0 HB3 PRO A 59 9.152 -3.837 3.407 1.00 0.00 H new ATOM 0 HG2 PRO A 59 11.056 -2.172 1.878 1.00 0.00 H new ATOM 0 HG3 PRO A 59 10.600 -2.050 3.566 1.00 0.00 H new ATOM 0 HD2 PRO A 59 13.031 -3.155 2.521 1.00 0.00 H new ATOM 0 HD3 PRO A 59 12.524 -3.137 4.198 1.00 0.00 H new ATOM 953 N LEU A 60 9.908 -6.584 0.731 1.00 0.00 N ATOM 954 CA LEU A 60 9.941 -7.172 -0.597 1.00 0.00 C ATOM 955 C LEU A 60 9.794 -6.066 -1.644 1.00 0.00 C ATOM 956 O LEU A 60 10.520 -6.046 -2.637 1.00 0.00 O ATOM 957 CB LEU A 60 8.890 -8.278 -0.719 1.00 0.00 C ATOM 958 CG LEU A 60 8.735 -9.193 0.497 1.00 0.00 C ATOM 959 CD1 LEU A 60 10.029 -9.247 1.311 1.00 0.00 C ATOM 960 CD2 LEU A 60 7.538 -8.771 1.351 1.00 0.00 C ATOM 0 H LEU A 60 9.162 -6.932 1.333 1.00 0.00 H new ATOM 0 HA LEU A 60 10.902 -7.655 -0.776 1.00 0.00 H new ATOM 0 HB2 LEU A 60 7.925 -7.814 -0.925 1.00 0.00 H new ATOM 0 HB3 LEU A 60 9.138 -8.894 -1.583 1.00 0.00 H new ATOM 0 HG LEU A 60 8.536 -10.204 0.141 1.00 0.00 H new ATOM 0 HD11 LEU A 60 9.892 -9.904 2.170 1.00 0.00 H new ATOM 0 HD12 LEU A 60 10.836 -9.630 0.686 1.00 0.00 H new ATOM 0 HD13 LEU A 60 10.283 -8.245 1.658 1.00 0.00 H new ATOM 0 HD21 LEU A 60 7.450 -9.438 2.209 1.00 0.00 H new ATOM 0 HD22 LEU A 60 7.682 -7.748 1.699 1.00 0.00 H new ATOM 0 HD23 LEU A 60 6.628 -8.826 0.754 1.00 0.00 H new ATOM 972 N GLY A 61 8.850 -5.173 -1.387 1.00 0.00 N ATOM 973 CA GLY A 61 8.598 -4.067 -2.294 1.00 0.00 C ATOM 974 C GLY A 61 7.589 -3.085 -1.695 1.00 0.00 C ATOM 975 O GLY A 61 7.319 -3.121 -0.496 1.00 0.00 O ATOM 0 H GLY A 61 8.250 -5.193 -0.563 1.00 0.00 H new ATOM 0 HA2 GLY A 61 9.532 -3.548 -2.509 1.00 0.00 H new ATOM 0 HA3 GLY A 61 8.220 -4.449 -3.242 1.00 0.00 H new ATOM 979 N ALA A 62 7.061 -2.229 -2.558 1.00 0.00 N ATOM 980 CA ALA A 62 6.088 -1.239 -2.129 1.00 0.00 C ATOM 981 C ALA A 62 5.099 -0.976 -3.266 1.00 0.00 C ATOM 982 O ALA A 62 5.367 -1.315 -4.418 1.00 0.00 O ATOM 983 CB ALA A 62 6.815 0.031 -1.683 1.00 0.00 C ATOM 0 H ALA A 62 7.289 -2.201 -3.552 1.00 0.00 H new ATOM 0 HA ALA A 62 5.518 -1.606 -1.275 1.00 0.00 H new ATOM 0 HB1 ALA A 62 6.085 0.774 -1.361 1.00 0.00 H new ATOM 0 HB2 ALA A 62 7.483 -0.204 -0.854 1.00 0.00 H new ATOM 0 HB3 ALA A 62 7.395 0.429 -2.515 1.00 0.00 H new ATOM 989 N ILE A 63 3.975 -0.374 -2.904 1.00 0.00 N ATOM 990 CA ILE A 63 2.945 -0.062 -3.879 1.00 0.00 C ATOM 991 C ILE A 63 2.725 1.452 -3.916 1.00 0.00 C ATOM 992 O ILE A 63 2.313 2.047 -2.921 1.00 0.00 O ATOM 993 CB ILE A 63 1.673 -0.861 -3.590 1.00 0.00 C ATOM 994 CG1 ILE A 63 1.961 -2.364 -3.577 1.00 0.00 C ATOM 995 CG2 ILE A 63 0.561 -0.499 -4.577 1.00 0.00 C ATOM 996 CD1 ILE A 63 0.980 -3.103 -2.665 1.00 0.00 C ATOM 0 H ILE A 63 3.756 -0.094 -1.948 1.00 0.00 H new ATOM 0 HA ILE A 63 3.263 -0.363 -4.877 1.00 0.00 H new ATOM 0 HB ILE A 63 1.320 -0.592 -2.595 1.00 0.00 H new ATOM 0 HG12 ILE A 63 1.890 -2.760 -4.590 1.00 0.00 H new ATOM 0 HG13 ILE A 63 2.982 -2.539 -3.237 1.00 0.00 H new ATOM 0 HG21 ILE A 63 -0.332 -1.081 -4.349 1.00 0.00 H new ATOM 0 HG22 ILE A 63 0.332 0.563 -4.494 1.00 0.00 H new ATOM 0 HG23 ILE A 63 0.889 -0.721 -5.592 1.00 0.00 H new ATOM 0 HD11 ILE A 63 1.207 -4.169 -2.674 1.00 0.00 H new ATOM 0 HD12 ILE A 63 1.071 -2.721 -1.648 1.00 0.00 H new ATOM 0 HD13 ILE A 63 -0.038 -2.946 -3.022 1.00 0.00 H new ATOM 1008 N HIS A 64 3.010 2.032 -5.072 1.00 0.00 N ATOM 1009 CA HIS A 64 2.849 3.464 -5.251 1.00 0.00 C ATOM 1010 C HIS A 64 1.380 3.844 -5.054 1.00 0.00 C ATOM 1011 O HIS A 64 0.509 3.369 -5.781 1.00 0.00 O ATOM 1012 CB HIS A 64 3.399 3.908 -6.608 1.00 0.00 C ATOM 1013 CG HIS A 64 3.901 5.332 -6.632 1.00 0.00 C ATOM 1014 ND1 HIS A 64 4.301 5.967 -7.795 1.00 0.00 N ATOM 1015 CD2 HIS A 64 4.064 6.236 -5.624 1.00 0.00 C ATOM 1016 CE1 HIS A 64 4.686 7.197 -7.489 1.00 0.00 C ATOM 1017 NE2 HIS A 64 4.539 7.362 -6.143 1.00 0.00 N ATOM 0 H HIS A 64 3.352 1.535 -5.895 1.00 0.00 H new ATOM 0 HA HIS A 64 3.430 3.995 -4.497 1.00 0.00 H new ATOM 0 HB2 HIS A 64 4.213 3.242 -6.894 1.00 0.00 H new ATOM 0 HB3 HIS A 64 2.617 3.797 -7.359 1.00 0.00 H new ATOM 0 HD1 HIS A 64 4.300 5.557 -8.729 1.00 0.00 H new ATOM 0 HD2 HIS A 64 3.844 6.065 -4.581 1.00 0.00 H new ATOM 0 HE1 HIS A 64 5.052 7.939 -8.183 1.00 0.00 H new ATOM 1025 N LEU A 65 1.150 4.697 -4.066 1.00 0.00 N ATOM 1026 CA LEU A 65 -0.199 5.145 -3.764 1.00 0.00 C ATOM 1027 C LEU A 65 -0.398 6.557 -4.319 1.00 0.00 C ATOM 1028 O LEU A 65 -1.393 7.213 -4.014 1.00 0.00 O ATOM 1029 CB LEU A 65 -0.479 5.029 -2.264 1.00 0.00 C ATOM 1030 CG LEU A 65 -0.136 3.683 -1.621 1.00 0.00 C ATOM 1031 CD1 LEU A 65 -0.210 3.771 -0.095 1.00 0.00 C ATOM 1032 CD2 LEU A 65 -1.026 2.568 -2.175 1.00 0.00 C ATOM 0 H LEU A 65 1.875 5.089 -3.465 1.00 0.00 H new ATOM 0 HA LEU A 65 -0.932 4.503 -4.252 1.00 0.00 H new ATOM 0 HB2 LEU A 65 0.081 5.809 -1.748 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -1.537 5.231 -2.095 1.00 0.00 H new ATOM 0 HG LEU A 65 0.893 3.432 -1.880 1.00 0.00 H new ATOM 0 HD11 LEU A 65 0.038 2.802 0.338 1.00 0.00 H new ATOM 0 HD12 LEU A 65 0.498 4.519 0.261 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -1.219 4.055 0.205 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -0.762 1.622 -1.702 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -2.071 2.799 -1.966 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -0.880 2.488 -3.252 1.00 0.00 H new ATOM 1044 N ARG A 66 0.564 6.984 -5.123 1.00 0.00 N ATOM 1045 CA ARG A 66 0.507 8.306 -5.723 1.00 0.00 C ATOM 1046 C ARG A 66 -0.833 8.509 -6.433 1.00 0.00 C ATOM 1047 O ARG A 66 -1.598 9.405 -6.080 1.00 0.00 O ATOM 1048 CB ARG A 66 1.644 8.505 -6.727 1.00 0.00 C ATOM 1049 CG ARG A 66 2.625 9.573 -6.240 1.00 0.00 C ATOM 1050 CD ARG A 66 3.573 10.000 -7.363 1.00 0.00 C ATOM 1051 NE ARG A 66 3.628 11.477 -7.445 1.00 0.00 N ATOM 1052 CZ ARG A 66 2.630 12.241 -7.910 1.00 0.00 C ATOM 1053 NH1 ARG A 66 1.494 11.672 -8.336 1.00 0.00 N ATOM 1054 NH2 ARG A 66 2.768 13.573 -7.948 1.00 0.00 N ATOM 0 H ARG A 66 1.388 6.438 -5.373 1.00 0.00 H new ATOM 0 HA ARG A 66 0.613 9.038 -4.923 1.00 0.00 H new ATOM 0 HB2 ARG A 66 2.171 7.563 -6.876 1.00 0.00 H new ATOM 0 HB3 ARG A 66 1.233 8.797 -7.694 1.00 0.00 H new ATOM 0 HG2 ARG A 66 2.073 10.440 -5.876 1.00 0.00 H new ATOM 0 HG3 ARG A 66 3.202 9.186 -5.400 1.00 0.00 H new ATOM 0 HD2 ARG A 66 4.570 9.600 -7.180 1.00 0.00 H new ATOM 0 HD3 ARG A 66 3.234 9.587 -8.313 1.00 0.00 H new ATOM 0 HE ARG A 66 4.479 11.942 -7.128 1.00 0.00 H new ATOM 0 HH11 ARG A 66 1.389 10.658 -8.306 1.00 0.00 H new ATOM 0 HH12 ARG A 66 0.734 12.253 -8.690 1.00 0.00 H new ATOM 0 HH21 ARG A 66 3.633 14.006 -7.623 1.00 0.00 H new ATOM 0 HH22 ARG A 66 2.008 14.155 -8.302 1.00 0.00 H new ATOM 1068 N GLY A 67 -1.076 7.662 -7.423 1.00 0.00 N ATOM 1069 CA GLY A 67 -2.310 7.737 -8.186 1.00 0.00 C ATOM 1070 C GLY A 67 -3.015 6.380 -8.223 1.00 0.00 C ATOM 1071 O GLY A 67 -3.630 6.023 -9.227 1.00 0.00 O ATOM 0 H GLY A 67 -0.439 6.920 -7.714 1.00 0.00 H new ATOM 0 HA2 GLY A 67 -2.971 8.482 -7.743 1.00 0.00 H new ATOM 0 HA3 GLY A 67 -2.094 8.066 -9.202 1.00 0.00 H new ATOM 1075 N CYS A 68 -2.902 5.660 -7.117 1.00 0.00 N ATOM 1076 CA CYS A 68 -3.521 4.350 -7.010 1.00 0.00 C ATOM 1077 C CYS A 68 -5.027 4.544 -6.821 1.00 0.00 C ATOM 1078 O CYS A 68 -5.501 5.673 -6.703 1.00 0.00 O ATOM 1079 CB CYS A 68 -2.906 3.523 -5.879 1.00 0.00 C ATOM 1080 SG CYS A 68 -3.468 4.163 -4.260 1.00 0.00 S ATOM 0 H CYS A 68 -2.391 5.959 -6.287 1.00 0.00 H new ATOM 0 HA CYS A 68 -3.340 3.785 -7.924 1.00 0.00 H new ATOM 0 HB2 CYS A 68 -3.192 2.477 -5.985 1.00 0.00 H new ATOM 0 HB3 CYS A 68 -1.818 3.563 -5.938 1.00 0.00 H new ATOM 0 HG CYS A 68 -3.715 3.167 -3.462 1.00 0.00 H new ATOM 1086 N VAL A 69 -5.738 3.425 -6.799 1.00 0.00 N ATOM 1087 CA VAL A 69 -7.180 3.458 -6.627 1.00 0.00 C ATOM 1088 C VAL A 69 -7.599 2.347 -5.663 1.00 0.00 C ATOM 1089 O VAL A 69 -6.938 1.313 -5.576 1.00 0.00 O ATOM 1090 CB VAL A 69 -7.872 3.362 -7.988 1.00 0.00 C ATOM 1091 CG1 VAL A 69 -9.383 3.560 -7.850 1.00 0.00 C ATOM 1092 CG2 VAL A 69 -7.276 4.364 -8.978 1.00 0.00 C ATOM 0 H VAL A 69 -5.342 2.490 -6.897 1.00 0.00 H new ATOM 0 HA VAL A 69 -7.491 4.405 -6.186 1.00 0.00 H new ATOM 0 HB VAL A 69 -7.700 2.360 -8.381 1.00 0.00 H new ATOM 0 HG11 VAL A 69 -9.851 3.487 -8.832 1.00 0.00 H new ATOM 0 HG12 VAL A 69 -9.792 2.791 -7.195 1.00 0.00 H new ATOM 0 HG13 VAL A 69 -9.584 4.543 -7.425 1.00 0.00 H new ATOM 0 HG21 VAL A 69 -7.786 4.275 -9.937 1.00 0.00 H new ATOM 0 HG22 VAL A 69 -7.403 5.376 -8.592 1.00 0.00 H new ATOM 0 HG23 VAL A 69 -6.214 4.157 -9.111 1.00 0.00 H new ATOM 1102 N VAL A 70 -8.696 2.597 -4.962 1.00 0.00 N ATOM 1103 CA VAL A 70 -9.211 1.630 -4.008 1.00 0.00 C ATOM 1104 C VAL A 70 -10.591 1.154 -4.466 1.00 0.00 C ATOM 1105 O VAL A 70 -11.407 1.952 -4.925 1.00 0.00 O ATOM 1106 CB VAL A 70 -9.224 2.237 -2.604 1.00 0.00 C ATOM 1107 CG1 VAL A 70 -10.106 1.417 -1.660 1.00 0.00 C ATOM 1108 CG2 VAL A 70 -7.804 2.369 -2.050 1.00 0.00 C ATOM 0 H VAL A 70 -9.242 3.455 -5.036 1.00 0.00 H new ATOM 0 HA VAL A 70 -8.563 0.755 -3.963 1.00 0.00 H new ATOM 0 HB VAL A 70 -9.650 3.238 -2.676 1.00 0.00 H new ATOM 0 HG11 VAL A 70 -10.098 1.870 -0.669 1.00 0.00 H new ATOM 0 HG12 VAL A 70 -11.127 1.397 -2.041 1.00 0.00 H new ATOM 0 HG13 VAL A 70 -9.723 0.399 -1.597 1.00 0.00 H new ATOM 0 HG21 VAL A 70 -7.842 2.803 -1.051 1.00 0.00 H new ATOM 0 HG22 VAL A 70 -7.340 1.384 -2.000 1.00 0.00 H new ATOM 0 HG23 VAL A 70 -7.217 3.014 -2.704 1.00 0.00 H new ATOM 1118 N THR A 71 -10.810 -0.145 -4.325 1.00 0.00 N ATOM 1119 CA THR A 71 -12.077 -0.738 -4.719 1.00 0.00 C ATOM 1120 C THR A 71 -12.344 -2.011 -3.913 1.00 0.00 C ATOM 1121 O THR A 71 -11.501 -2.440 -3.127 1.00 0.00 O ATOM 1122 CB THR A 71 -12.041 -0.971 -6.230 1.00 0.00 C ATOM 1123 OG1 THR A 71 -13.401 -0.843 -6.634 1.00 0.00 O ATOM 1124 CG2 THR A 71 -11.679 -2.413 -6.591 1.00 0.00 C ATOM 0 H THR A 71 -10.131 -0.804 -3.943 1.00 0.00 H new ATOM 0 HA THR A 71 -12.911 -0.071 -4.499 1.00 0.00 H new ATOM 0 HB THR A 71 -11.321 -0.291 -6.685 1.00 0.00 H new ATOM 0 HG1 THR A 71 -13.469 -0.978 -7.602 1.00 0.00 H new ATOM 0 HG21 THR A 71 -11.667 -2.525 -7.675 1.00 0.00 H new ATOM 0 HG22 THR A 71 -10.694 -2.652 -6.191 1.00 0.00 H new ATOM 0 HG23 THR A 71 -12.418 -3.091 -6.164 1.00 0.00 H new ATOM 1132 N SER A 72 -13.520 -2.579 -4.137 1.00 0.00 N ATOM 1133 CA SER A 72 -13.908 -3.794 -3.442 1.00 0.00 C ATOM 1134 C SER A 72 -14.142 -4.922 -4.450 1.00 0.00 C ATOM 1135 O SER A 72 -14.310 -4.668 -5.642 1.00 0.00 O ATOM 1136 CB SER A 72 -15.164 -3.569 -2.597 1.00 0.00 C ATOM 1137 OG SER A 72 -15.508 -2.189 -2.511 1.00 0.00 O ATOM 0 H SER A 72 -14.217 -2.220 -4.790 1.00 0.00 H new ATOM 0 HA SER A 72 -13.097 -4.077 -2.771 1.00 0.00 H new ATOM 0 HB2 SER A 72 -15.996 -4.124 -3.030 1.00 0.00 H new ATOM 0 HB3 SER A 72 -15.003 -3.966 -1.595 1.00 0.00 H new ATOM 0 HG SER A 72 -16.315 -2.087 -1.965 1.00 0.00 H new ATOM 1143 N VAL A 73 -14.144 -6.142 -3.934 1.00 0.00 N ATOM 1144 CA VAL A 73 -14.355 -7.309 -4.774 1.00 0.00 C ATOM 1145 C VAL A 73 -15.816 -7.749 -4.672 1.00 0.00 C ATOM 1146 O VAL A 73 -16.654 -7.016 -4.147 1.00 0.00 O ATOM 1147 CB VAL A 73 -13.369 -8.415 -4.390 1.00 0.00 C ATOM 1148 CG1 VAL A 73 -11.924 -7.929 -4.518 1.00 0.00 C ATOM 1149 CG2 VAL A 73 -13.650 -8.934 -2.979 1.00 0.00 C ATOM 0 H VAL A 73 -14.003 -6.348 -2.945 1.00 0.00 H new ATOM 0 HA VAL A 73 -14.161 -7.067 -5.819 1.00 0.00 H new ATOM 0 HB VAL A 73 -13.507 -9.243 -5.085 1.00 0.00 H new ATOM 0 HG11 VAL A 73 -11.243 -8.734 -4.239 1.00 0.00 H new ATOM 0 HG12 VAL A 73 -11.730 -7.630 -5.548 1.00 0.00 H new ATOM 0 HG13 VAL A 73 -11.767 -7.076 -3.858 1.00 0.00 H new ATOM 0 HG21 VAL A 73 -12.935 -9.719 -2.731 1.00 0.00 H new ATOM 0 HG22 VAL A 73 -13.553 -8.116 -2.265 1.00 0.00 H new ATOM 0 HG23 VAL A 73 -14.662 -9.337 -2.934 1.00 0.00 H new ATOM 1318 N GLU A 85 -13.106 -15.142 2.765 1.00 0.00 N ATOM 1319 CA GLU A 85 -13.490 -14.129 3.733 1.00 0.00 C ATOM 1320 C GLU A 85 -13.750 -12.794 3.030 1.00 0.00 C ATOM 1321 O GLU A 85 -14.202 -12.769 1.887 1.00 0.00 O ATOM 1322 CB GLU A 85 -12.425 -13.978 4.820 1.00 0.00 C ATOM 1323 CG GLU A 85 -11.922 -15.345 5.289 1.00 0.00 C ATOM 1324 CD GLU A 85 -11.221 -15.236 6.645 1.00 0.00 C ATOM 1325 OE1 GLU A 85 -11.951 -15.156 7.656 1.00 0.00 O ATOM 1326 OE2 GLU A 85 -9.971 -15.235 6.639 1.00 0.00 O ATOM 0 HA GLU A 85 -14.413 -14.448 4.217 1.00 0.00 H new ATOM 0 HB2 GLU A 85 -11.590 -13.391 4.437 1.00 0.00 H new ATOM 0 HB3 GLU A 85 -12.839 -13.429 5.666 1.00 0.00 H new ATOM 0 HG2 GLU A 85 -12.759 -16.039 5.363 1.00 0.00 H new ATOM 0 HG3 GLU A 85 -11.233 -15.756 4.551 1.00 0.00 H new ATOM 1333 N ASN A 86 -13.452 -11.719 3.744 1.00 0.00 N ATOM 1334 CA ASN A 86 -13.647 -10.384 3.203 1.00 0.00 C ATOM 1335 C ASN A 86 -12.372 -9.938 2.485 1.00 0.00 C ATOM 1336 O ASN A 86 -11.348 -9.697 3.123 1.00 0.00 O ATOM 1337 CB ASN A 86 -13.940 -9.376 4.316 1.00 0.00 C ATOM 1338 CG ASN A 86 -15.200 -9.766 5.091 1.00 0.00 C ATOM 1339 OD1 ASN A 86 -14.973 -10.113 6.354 1.00 0.00 O flip ATOM 1340 ND2 ASN A 86 -16.306 -9.752 4.576 1.00 0.00 N flip ATOM 0 H ASN A 86 -13.077 -11.745 4.692 1.00 0.00 H new ATOM 0 HA ASN A 86 -14.493 -10.419 2.516 1.00 0.00 H new ATOM 0 HB2 ASN A 86 -13.091 -9.324 4.998 1.00 0.00 H new ATOM 0 HB3 ASN A 86 -14.066 -8.382 3.887 1.00 0.00 H new ATOM 0 HD21 ASN A 86 -16.411 -9.475 3.600 1.00 0.00 H new ATOM 0 HD22 ASN A 86 -17.126 -10.017 5.122 1.00 0.00 H new ATOM 1347 N LEU A 87 -12.475 -9.842 1.167 1.00 0.00 N ATOM 1348 CA LEU A 87 -11.343 -9.429 0.356 1.00 0.00 C ATOM 1349 C LEU A 87 -11.653 -8.080 -0.296 1.00 0.00 C ATOM 1350 O LEU A 87 -12.743 -7.538 -0.120 1.00 0.00 O ATOM 1351 CB LEU A 87 -10.974 -10.526 -0.646 1.00 0.00 C ATOM 1352 CG LEU A 87 -11.599 -11.900 -0.397 1.00 0.00 C ATOM 1353 CD1 LEU A 87 -11.627 -12.730 -1.682 1.00 0.00 C ATOM 1354 CD2 LEU A 87 -10.885 -12.629 0.742 1.00 0.00 C ATOM 0 H LEU A 87 -13.325 -10.043 0.641 1.00 0.00 H new ATOM 0 HA LEU A 87 -10.460 -9.287 0.979 1.00 0.00 H new ATOM 0 HB2 LEU A 87 -11.263 -10.192 -1.643 1.00 0.00 H new ATOM 0 HB3 LEU A 87 -9.890 -10.637 -0.650 1.00 0.00 H new ATOM 0 HG LEU A 87 -12.633 -11.754 -0.086 1.00 0.00 H new ATOM 0 HD11 LEU A 87 -12.076 -13.702 -1.478 1.00 0.00 H new ATOM 0 HD12 LEU A 87 -12.215 -12.210 -2.438 1.00 0.00 H new ATOM 0 HD13 LEU A 87 -10.610 -12.870 -2.047 1.00 0.00 H new ATOM 0 HD21 LEU A 87 -11.349 -13.603 0.898 1.00 0.00 H new ATOM 0 HD22 LEU A 87 -9.834 -12.765 0.485 1.00 0.00 H new ATOM 0 HD23 LEU A 87 -10.962 -12.040 1.656 1.00 0.00 H new ATOM 1366 N PHE A 88 -10.675 -7.578 -1.035 1.00 0.00 N ATOM 1367 CA PHE A 88 -10.830 -6.302 -1.714 1.00 0.00 C ATOM 1368 C PHE A 88 -9.733 -6.102 -2.762 1.00 0.00 C ATOM 1369 O PHE A 88 -8.660 -6.694 -2.663 1.00 0.00 O ATOM 1370 CB PHE A 88 -10.707 -5.211 -0.649 1.00 0.00 C ATOM 1371 CG PHE A 88 -9.451 -5.327 0.218 1.00 0.00 C ATOM 1372 CD1 PHE A 88 -8.276 -4.794 -0.212 1.00 0.00 C ATOM 1373 CD2 PHE A 88 -9.510 -5.962 1.419 1.00 0.00 C ATOM 1374 CE1 PHE A 88 -7.111 -4.902 0.593 1.00 0.00 C ATOM 1375 CE2 PHE A 88 -8.345 -6.070 2.224 1.00 0.00 C ATOM 1376 CZ PHE A 88 -7.170 -5.537 1.793 1.00 0.00 C ATOM 0 H PHE A 88 -9.773 -8.031 -1.179 1.00 0.00 H new ATOM 0 HA PHE A 88 -11.793 -6.266 -2.224 1.00 0.00 H new ATOM 0 HB2 PHE A 88 -10.709 -4.237 -1.139 1.00 0.00 H new ATOM 0 HB3 PHE A 88 -11.585 -5.246 -0.005 1.00 0.00 H new ATOM 0 HD1 PHE A 88 -8.229 -4.289 -1.165 1.00 0.00 H new ATOM 0 HD2 PHE A 88 -10.443 -6.384 1.761 1.00 0.00 H new ATOM 0 HE1 PHE A 88 -6.178 -4.479 0.251 1.00 0.00 H new ATOM 0 HE2 PHE A 88 -8.392 -6.575 3.178 1.00 0.00 H new ATOM 0 HZ PHE A 88 -6.284 -5.619 2.405 1.00 0.00 H new ATOM 1386 N GLU A 89 -10.041 -5.265 -3.742 1.00 0.00 N ATOM 1387 CA GLU A 89 -9.096 -4.980 -4.807 1.00 0.00 C ATOM 1388 C GLU A 89 -8.499 -3.582 -4.627 1.00 0.00 C ATOM 1389 O GLU A 89 -9.152 -2.690 -4.089 1.00 0.00 O ATOM 1390 CB GLU A 89 -9.756 -5.121 -6.180 1.00 0.00 C ATOM 1391 CG GLU A 89 -8.808 -4.674 -7.294 1.00 0.00 C ATOM 1392 CD GLU A 89 -9.519 -4.665 -8.648 1.00 0.00 C ATOM 1393 OE1 GLU A 89 -10.337 -3.742 -8.853 1.00 0.00 O ATOM 1394 OE2 GLU A 89 -9.228 -5.580 -9.448 1.00 0.00 O ATOM 0 H GLU A 89 -10.932 -4.775 -3.820 1.00 0.00 H new ATOM 0 HA GLU A 89 -8.288 -5.709 -4.753 1.00 0.00 H new ATOM 0 HB2 GLU A 89 -10.049 -6.158 -6.342 1.00 0.00 H new ATOM 0 HB3 GLU A 89 -10.667 -4.524 -6.212 1.00 0.00 H new ATOM 0 HG2 GLU A 89 -8.426 -3.677 -7.073 1.00 0.00 H new ATOM 0 HG3 GLU A 89 -7.948 -5.343 -7.335 1.00 0.00 H new ATOM 1401 N ILE A 90 -7.266 -3.436 -5.087 1.00 0.00 N ATOM 1402 CA ILE A 90 -6.574 -2.163 -4.984 1.00 0.00 C ATOM 1403 C ILE A 90 -5.720 -1.948 -6.235 1.00 0.00 C ATOM 1404 O ILE A 90 -4.710 -2.623 -6.426 1.00 0.00 O ATOM 1405 CB ILE A 90 -5.781 -2.088 -3.678 1.00 0.00 C ATOM 1406 CG1 ILE A 90 -6.697 -2.281 -2.468 1.00 0.00 C ATOM 1407 CG2 ILE A 90 -4.985 -0.784 -3.593 1.00 0.00 C ATOM 1408 CD1 ILE A 90 -5.913 -2.154 -1.160 1.00 0.00 C ATOM 0 H ILE A 90 -6.728 -4.179 -5.533 1.00 0.00 H new ATOM 0 HA ILE A 90 -7.291 -1.343 -4.942 1.00 0.00 H new ATOM 0 HB ILE A 90 -5.060 -2.906 -3.669 1.00 0.00 H new ATOM 0 HG12 ILE A 90 -7.496 -1.540 -2.491 1.00 0.00 H new ATOM 0 HG13 ILE A 90 -7.170 -3.262 -2.519 1.00 0.00 H new ATOM 0 HG21 ILE A 90 -4.431 -0.757 -2.655 1.00 0.00 H new ATOM 0 HG22 ILE A 90 -4.287 -0.729 -4.429 1.00 0.00 H new ATOM 0 HG23 ILE A 90 -5.669 0.063 -3.635 1.00 0.00 H new ATOM 0 HD11 ILE A 90 -6.588 -2.295 -0.316 1.00 0.00 H new ATOM 0 HD12 ILE A 90 -5.130 -2.912 -1.130 1.00 0.00 H new ATOM 0 HD13 ILE A 90 -5.461 -1.164 -1.101 1.00 0.00 H new ATOM 1420 N ILE A 91 -6.157 -1.004 -7.056 1.00 0.00 N ATOM 1421 CA ILE A 91 -5.446 -0.691 -8.284 1.00 0.00 C ATOM 1422 C ILE A 91 -4.356 0.341 -7.988 1.00 0.00 C ATOM 1423 O ILE A 91 -4.564 1.258 -7.195 1.00 0.00 O ATOM 1424 CB ILE A 91 -6.426 -0.255 -9.375 1.00 0.00 C ATOM 1425 CG1 ILE A 91 -7.617 -1.212 -9.455 1.00 0.00 C ATOM 1426 CG2 ILE A 91 -5.716 -0.109 -10.722 1.00 0.00 C ATOM 1427 CD1 ILE A 91 -8.929 -0.441 -9.619 1.00 0.00 C ATOM 0 H ILE A 91 -6.995 -0.445 -6.895 1.00 0.00 H new ATOM 0 HA ILE A 91 -4.948 -1.579 -8.673 1.00 0.00 H new ATOM 0 HB ILE A 91 -6.819 0.727 -9.110 1.00 0.00 H new ATOM 0 HG12 ILE A 91 -7.484 -1.894 -10.295 1.00 0.00 H new ATOM 0 HG13 ILE A 91 -7.660 -1.822 -8.553 1.00 0.00 H new ATOM 0 HG21 ILE A 91 -6.435 0.202 -11.480 1.00 0.00 H new ATOM 0 HG22 ILE A 91 -4.929 0.641 -10.639 1.00 0.00 H new ATOM 0 HG23 ILE A 91 -5.278 -1.065 -11.008 1.00 0.00 H new ATOM 0 HD11 ILE A 91 -9.760 -1.144 -9.673 1.00 0.00 H new ATOM 0 HD12 ILE A 91 -9.070 0.222 -8.766 1.00 0.00 H new ATOM 0 HD13 ILE A 91 -8.892 0.149 -10.535 1.00 0.00 H new ATOM 1439 N THR A 92 -3.218 0.157 -8.641 1.00 0.00 N ATOM 1440 CA THR A 92 -2.095 1.061 -8.458 1.00 0.00 C ATOM 1441 C THR A 92 -1.992 2.029 -9.638 1.00 0.00 C ATOM 1442 O THR A 92 -2.931 2.161 -10.421 1.00 0.00 O ATOM 1443 CB THR A 92 -0.836 0.216 -8.253 1.00 0.00 C ATOM 1444 OG1 THR A 92 -0.807 -0.643 -9.390 1.00 0.00 O ATOM 1445 CG2 THR A 92 -0.960 -0.742 -7.066 1.00 0.00 C ATOM 0 H THR A 92 -3.049 -0.605 -9.298 1.00 0.00 H new ATOM 0 HA THR A 92 -2.231 1.687 -7.576 1.00 0.00 H new ATOM 0 HB THR A 92 0.021 0.872 -8.102 1.00 0.00 H new ATOM 0 HG1 THR A 92 0.120 -0.770 -9.681 1.00 0.00 H new ATOM 0 HG21 THR A 92 -0.040 -1.317 -6.965 1.00 0.00 H new ATOM 0 HG22 THR A 92 -1.133 -0.171 -6.154 1.00 0.00 H new ATOM 0 HG23 THR A 92 -1.796 -1.421 -7.232 1.00 0.00 H new ATOM 1453 N ALA A 93 -0.842 2.681 -9.728 1.00 0.00 N ATOM 1454 CA ALA A 93 -0.604 3.634 -10.799 1.00 0.00 C ATOM 1455 C ALA A 93 -0.320 2.874 -12.096 1.00 0.00 C ATOM 1456 O ALA A 93 -0.476 3.422 -13.187 1.00 0.00 O ATOM 1457 CB ALA A 93 0.543 4.567 -10.407 1.00 0.00 C ATOM 0 H ALA A 93 -0.065 2.568 -9.077 1.00 0.00 H new ATOM 0 HA ALA A 93 -1.485 4.254 -10.965 1.00 0.00 H new ATOM 0 HB1 ALA A 93 0.721 5.282 -11.210 1.00 0.00 H new ATOM 0 HB2 ALA A 93 0.280 5.104 -9.496 1.00 0.00 H new ATOM 0 HB3 ALA A 93 1.446 3.981 -10.235 1.00 0.00 H new ATOM 1463 N ASP A 94 0.092 1.625 -11.936 1.00 0.00 N ATOM 1464 CA ASP A 94 0.400 0.786 -13.081 1.00 0.00 C ATOM 1465 C ASP A 94 -0.837 -0.035 -13.453 1.00 0.00 C ATOM 1466 O ASP A 94 -0.792 -0.850 -14.373 1.00 0.00 O ATOM 1467 CB ASP A 94 1.535 -0.189 -12.760 1.00 0.00 C ATOM 1468 CG ASP A 94 2.750 -0.093 -13.684 1.00 0.00 C ATOM 1469 OD1 ASP A 94 2.886 0.966 -14.334 1.00 0.00 O ATOM 1470 OD2 ASP A 94 3.515 -1.081 -13.720 1.00 0.00 O ATOM 0 H ASP A 94 0.220 1.174 -11.030 1.00 0.00 H new ATOM 0 HA ASP A 94 0.703 1.435 -13.903 1.00 0.00 H new ATOM 0 HB2 ASP A 94 1.863 -0.017 -11.735 1.00 0.00 H new ATOM 0 HB3 ASP A 94 1.144 -1.205 -12.803 1.00 0.00 H new ATOM 1475 N GLU A 95 -1.913 0.210 -12.719 1.00 0.00 N ATOM 1476 CA GLU A 95 -3.160 -0.496 -12.960 1.00 0.00 C ATOM 1477 C GLU A 95 -3.115 -1.886 -12.322 1.00 0.00 C ATOM 1478 O GLU A 95 -4.062 -2.661 -12.445 1.00 0.00 O ATOM 1479 CB GLU A 95 -3.455 -0.591 -14.458 1.00 0.00 C ATOM 1480 CG GLU A 95 -3.076 0.707 -15.175 1.00 0.00 C ATOM 1481 CD GLU A 95 -3.962 0.935 -16.402 1.00 0.00 C ATOM 1482 OE1 GLU A 95 -3.571 0.444 -17.483 1.00 0.00 O ATOM 1483 OE2 GLU A 95 -5.010 1.595 -16.231 1.00 0.00 O ATOM 0 H GLU A 95 -1.947 0.888 -11.957 1.00 0.00 H new ATOM 0 HA GLU A 95 -3.970 0.069 -12.498 1.00 0.00 H new ATOM 0 HB2 GLU A 95 -2.900 -1.424 -14.889 1.00 0.00 H new ATOM 0 HB3 GLU A 95 -4.514 -0.800 -14.611 1.00 0.00 H new ATOM 0 HG2 GLU A 95 -3.176 1.548 -14.489 1.00 0.00 H new ATOM 0 HG3 GLU A 95 -2.030 0.666 -15.480 1.00 0.00 H new ATOM 1490 N VAL A 96 -2.004 -2.160 -11.653 1.00 0.00 N ATOM 1491 CA VAL A 96 -1.823 -3.443 -10.995 1.00 0.00 C ATOM 1492 C VAL A 96 -2.928 -3.637 -9.955 1.00 0.00 C ATOM 1493 O VAL A 96 -3.177 -2.755 -9.135 1.00 0.00 O ATOM 1494 CB VAL A 96 -0.418 -3.531 -10.398 1.00 0.00 C ATOM 1495 CG1 VAL A 96 -0.142 -4.932 -9.848 1.00 0.00 C ATOM 1496 CG2 VAL A 96 0.641 -3.127 -11.426 1.00 0.00 C ATOM 0 H VAL A 96 -1.220 -1.515 -11.553 1.00 0.00 H new ATOM 0 HA VAL A 96 -1.907 -4.257 -11.715 1.00 0.00 H new ATOM 0 HB VAL A 96 -0.363 -2.828 -9.567 1.00 0.00 H new ATOM 0 HG11 VAL A 96 0.864 -4.967 -9.429 1.00 0.00 H new ATOM 0 HG12 VAL A 96 -0.868 -5.167 -9.069 1.00 0.00 H new ATOM 0 HG13 VAL A 96 -0.225 -5.662 -10.653 1.00 0.00 H new ATOM 0 HG21 VAL A 96 1.631 -3.198 -10.976 1.00 0.00 H new ATOM 0 HG22 VAL A 96 0.585 -3.793 -12.287 1.00 0.00 H new ATOM 0 HG23 VAL A 96 0.462 -2.101 -11.749 1.00 0.00 H new ATOM 1506 N HIS A 97 -3.562 -4.799 -10.023 1.00 0.00 N ATOM 1507 CA HIS A 97 -4.635 -5.121 -9.097 1.00 0.00 C ATOM 1508 C HIS A 97 -4.121 -6.094 -8.034 1.00 0.00 C ATOM 1509 O HIS A 97 -3.341 -6.995 -8.338 1.00 0.00 O ATOM 1510 CB HIS A 97 -5.858 -5.654 -9.847 1.00 0.00 C ATOM 1511 CG HIS A 97 -6.231 -4.845 -11.066 1.00 0.00 C ATOM 1512 ND1 HIS A 97 -7.379 -4.074 -11.132 1.00 0.00 N ATOM 1513 CD2 HIS A 97 -5.598 -4.695 -12.265 1.00 0.00 C ATOM 1514 CE1 HIS A 97 -7.423 -3.491 -12.321 1.00 0.00 C ATOM 1515 NE2 HIS A 97 -6.319 -3.878 -13.022 1.00 0.00 N ATOM 0 H HIS A 97 -3.353 -5.529 -10.705 1.00 0.00 H new ATOM 0 HA HIS A 97 -4.961 -4.216 -8.584 1.00 0.00 H new ATOM 0 HB2 HIS A 97 -5.665 -6.683 -10.151 1.00 0.00 H new ATOM 0 HB3 HIS A 97 -6.708 -5.677 -9.165 1.00 0.00 H new ATOM 0 HD2 HIS A 97 -4.667 -5.162 -12.550 1.00 0.00 H new ATOM 0 HE1 HIS A 97 -8.197 -2.826 -12.673 1.00 0.00 H new ATOM 0 HE2 HIS A 97 -6.086 -3.587 -13.972 1.00 0.00 H new ATOM 1523 N TYR A 98 -4.580 -5.879 -6.810 1.00 0.00 N ATOM 1524 CA TYR A 98 -4.176 -6.725 -5.700 1.00 0.00 C ATOM 1525 C TYR A 98 -5.381 -7.118 -4.844 1.00 0.00 C ATOM 1526 O TYR A 98 -6.158 -6.260 -4.427 1.00 0.00 O ATOM 1527 CB TYR A 98 -3.217 -5.884 -4.855 1.00 0.00 C ATOM 1528 CG TYR A 98 -1.843 -5.677 -5.494 1.00 0.00 C ATOM 1529 CD1 TYR A 98 -1.039 -6.765 -5.770 1.00 0.00 C ATOM 1530 CD2 TYR A 98 -1.407 -4.403 -5.795 1.00 0.00 C ATOM 1531 CE1 TYR A 98 0.255 -6.569 -6.372 1.00 0.00 C ATOM 1532 CE2 TYR A 98 -0.113 -4.208 -6.397 1.00 0.00 C ATOM 1533 CZ TYR A 98 0.654 -5.301 -6.656 1.00 0.00 C ATOM 1534 OH TYR A 98 1.876 -5.116 -7.224 1.00 0.00 O ATOM 0 H TYR A 98 -5.228 -5.131 -6.562 1.00 0.00 H new ATOM 0 HA TYR A 98 -3.715 -7.643 -6.065 1.00 0.00 H new ATOM 0 HB2 TYR A 98 -3.671 -4.910 -4.670 1.00 0.00 H new ATOM 0 HB3 TYR A 98 -3.087 -6.364 -3.885 1.00 0.00 H new ATOM 0 HD1 TYR A 98 -1.380 -7.762 -5.535 1.00 0.00 H new ATOM 0 HD2 TYR A 98 -2.036 -3.552 -5.579 1.00 0.00 H new ATOM 0 HE1 TYR A 98 0.894 -7.411 -6.593 1.00 0.00 H new ATOM 0 HE2 TYR A 98 0.240 -3.216 -6.637 1.00 0.00 H new ATOM 0 HH TYR A 98 2.027 -4.159 -7.371 1.00 0.00 H new ATOM 1544 N PHE A 99 -5.500 -8.416 -4.606 1.00 0.00 N ATOM 1545 CA PHE A 99 -6.598 -8.933 -3.806 1.00 0.00 C ATOM 1546 C PHE A 99 -6.093 -9.478 -2.469 1.00 0.00 C ATOM 1547 O PHE A 99 -5.465 -10.534 -2.422 1.00 0.00 O ATOM 1548 CB PHE A 99 -7.231 -10.076 -4.602 1.00 0.00 C ATOM 1549 CG PHE A 99 -8.188 -9.613 -5.703 1.00 0.00 C ATOM 1550 CD1 PHE A 99 -7.813 -8.624 -6.558 1.00 0.00 C ATOM 1551 CD2 PHE A 99 -9.413 -10.190 -5.826 1.00 0.00 C ATOM 1552 CE1 PHE A 99 -8.701 -8.194 -7.579 1.00 0.00 C ATOM 1553 CE2 PHE A 99 -10.301 -9.760 -6.847 1.00 0.00 C ATOM 1554 CZ PHE A 99 -9.926 -8.772 -7.702 1.00 0.00 C ATOM 0 H PHE A 99 -4.854 -9.125 -4.953 1.00 0.00 H new ATOM 0 HA PHE A 99 -7.313 -8.137 -3.597 1.00 0.00 H new ATOM 0 HB2 PHE A 99 -6.439 -10.674 -5.052 1.00 0.00 H new ATOM 0 HB3 PHE A 99 -7.772 -10.727 -3.915 1.00 0.00 H new ATOM 0 HD1 PHE A 99 -6.840 -8.166 -6.460 1.00 0.00 H new ATOM 0 HD2 PHE A 99 -9.711 -10.975 -5.147 1.00 0.00 H new ATOM 0 HE1 PHE A 99 -8.404 -7.408 -8.258 1.00 0.00 H new ATOM 0 HE2 PHE A 99 -11.274 -10.218 -6.944 1.00 0.00 H new ATOM 0 HZ PHE A 99 -10.601 -8.446 -8.479 1.00 0.00 H new ATOM 1564 N LEU A 100 -6.386 -8.732 -1.414 1.00 0.00 N ATOM 1565 CA LEU A 100 -5.969 -9.126 -0.079 1.00 0.00 C ATOM 1566 C LEU A 100 -7.200 -9.530 0.736 1.00 0.00 C ATOM 1567 O LEU A 100 -8.277 -8.962 0.564 1.00 0.00 O ATOM 1568 CB LEU A 100 -5.138 -8.019 0.572 1.00 0.00 C ATOM 1569 CG LEU A 100 -4.039 -7.405 -0.299 1.00 0.00 C ATOM 1570 CD1 LEU A 100 -3.132 -8.490 -0.883 1.00 0.00 C ATOM 1571 CD2 LEU A 100 -4.638 -6.512 -1.387 1.00 0.00 C ATOM 0 H LEU A 100 -6.907 -7.856 -1.457 1.00 0.00 H new ATOM 0 HA LEU A 100 -5.316 -9.997 -0.126 1.00 0.00 H new ATOM 0 HB2 LEU A 100 -5.813 -7.223 0.886 1.00 0.00 H new ATOM 0 HB3 LEU A 100 -4.677 -8.421 1.474 1.00 0.00 H new ATOM 0 HG LEU A 100 -3.417 -6.771 0.332 1.00 0.00 H new ATOM 0 HD11 LEU A 100 -2.360 -8.027 -1.498 1.00 0.00 H new ATOM 0 HD12 LEU A 100 -2.664 -9.048 -0.072 1.00 0.00 H new ATOM 0 HD13 LEU A 100 -3.725 -9.169 -1.496 1.00 0.00 H new ATOM 0 HD21 LEU A 100 -3.836 -6.088 -1.992 1.00 0.00 H new ATOM 0 HD22 LEU A 100 -5.297 -7.104 -2.022 1.00 0.00 H new ATOM 0 HD23 LEU A 100 -5.208 -5.707 -0.924 1.00 0.00 H new ATOM 1583 N GLN A 101 -6.999 -10.510 1.605 1.00 0.00 N ATOM 1584 CA GLN A 101 -8.078 -10.997 2.447 1.00 0.00 C ATOM 1585 C GLN A 101 -8.003 -10.352 3.833 1.00 0.00 C ATOM 1586 O GLN A 101 -6.986 -10.460 4.517 1.00 0.00 O ATOM 1587 CB GLN A 101 -8.048 -12.523 2.550 1.00 0.00 C ATOM 1588 CG GLN A 101 -9.154 -13.032 3.475 1.00 0.00 C ATOM 1589 CD GLN A 101 -8.605 -14.048 4.479 1.00 0.00 C ATOM 1590 OE1 GLN A 101 -8.302 -13.732 5.618 1.00 0.00 O ATOM 1591 NE2 GLN A 101 -8.494 -15.282 3.995 1.00 0.00 N ATOM 0 H GLN A 101 -6.104 -10.980 1.744 1.00 0.00 H new ATOM 0 HA GLN A 101 -9.026 -10.716 1.988 1.00 0.00 H new ATOM 0 HB2 GLN A 101 -8.168 -12.960 1.559 1.00 0.00 H new ATOM 0 HB3 GLN A 101 -7.077 -12.847 2.926 1.00 0.00 H new ATOM 0 HG2 GLN A 101 -9.601 -12.193 4.009 1.00 0.00 H new ATOM 0 HG3 GLN A 101 -9.945 -13.492 2.883 1.00 0.00 H new ATOM 0 HE21 GLN A 101 -8.766 -15.478 3.032 1.00 0.00 H new ATOM 0 HE22 GLN A 101 -8.137 -16.032 4.587 1.00 0.00 H new ATOM 1600 N ALA A 102 -9.092 -9.697 4.205 1.00 0.00 N ATOM 1601 CA ALA A 102 -9.162 -9.035 5.497 1.00 0.00 C ATOM 1602 C ALA A 102 -9.785 -9.987 6.520 1.00 0.00 C ATOM 1603 O ALA A 102 -10.912 -10.445 6.341 1.00 0.00 O ATOM 1604 CB ALA A 102 -9.949 -7.730 5.361 1.00 0.00 C ATOM 0 H ALA A 102 -9.933 -9.610 3.635 1.00 0.00 H new ATOM 0 HA ALA A 102 -8.163 -8.778 5.851 1.00 0.00 H new ATOM 0 HB1 ALA A 102 -10.001 -7.234 6.330 1.00 0.00 H new ATOM 0 HB2 ALA A 102 -9.450 -7.077 4.645 1.00 0.00 H new ATOM 0 HB3 ALA A 102 -10.958 -7.948 5.010 1.00 0.00 H new ATOM 1610 N ALA A 103 -9.023 -10.258 7.570 1.00 0.00 N ATOM 1611 CA ALA A 103 -9.486 -11.147 8.621 1.00 0.00 C ATOM 1612 C ALA A 103 -10.966 -10.875 8.899 1.00 0.00 C ATOM 1613 O ALA A 103 -11.807 -11.752 8.711 1.00 0.00 O ATOM 1614 CB ALA A 103 -8.616 -10.963 9.866 1.00 0.00 C ATOM 0 H ALA A 103 -8.088 -9.877 7.715 1.00 0.00 H new ATOM 0 HA ALA A 103 -9.395 -12.188 8.310 1.00 0.00 H new ATOM 0 HB1 ALA A 103 -8.964 -11.630 10.655 1.00 0.00 H new ATOM 0 HB2 ALA A 103 -7.579 -11.197 9.623 1.00 0.00 H new ATOM 0 HB3 ALA A 103 -8.684 -9.930 10.208 1.00 0.00 H new ATOM 1620 N THR A 104 -11.237 -9.656 9.341 1.00 0.00 N ATOM 1621 CA THR A 104 -12.601 -9.257 9.646 1.00 0.00 C ATOM 1622 C THR A 104 -13.186 -8.434 8.497 1.00 0.00 C ATOM 1623 O THR A 104 -12.448 -7.924 7.655 1.00 0.00 O ATOM 1624 CB THR A 104 -12.588 -8.512 10.982 1.00 0.00 C ATOM 1625 OG1 THR A 104 -11.563 -7.535 10.825 1.00 0.00 O ATOM 1626 CG2 THR A 104 -12.095 -9.388 12.136 1.00 0.00 C ATOM 0 H THR A 104 -10.536 -8.931 9.495 1.00 0.00 H new ATOM 0 HA THR A 104 -13.253 -10.124 9.747 1.00 0.00 H new ATOM 0 HB THR A 104 -13.591 -8.149 11.205 1.00 0.00 H new ATOM 0 HG1 THR A 104 -11.488 -7.005 11.646 1.00 0.00 H new ATOM 0 HG21 THR A 104 -12.105 -8.811 13.061 1.00 0.00 H new ATOM 0 HG22 THR A 104 -12.749 -10.254 12.241 1.00 0.00 H new ATOM 0 HG23 THR A 104 -11.079 -9.724 11.929 1.00 0.00 H new ATOM 1634 N PRO A 105 -14.542 -8.327 8.499 1.00 0.00 N ATOM 1635 CA PRO A 105 -15.234 -7.574 7.467 1.00 0.00 C ATOM 1636 C PRO A 105 -15.080 -6.068 7.690 1.00 0.00 C ATOM 1637 O PRO A 105 -15.477 -5.268 6.844 1.00 0.00 O ATOM 1638 CB PRO A 105 -16.679 -8.041 7.541 1.00 0.00 C ATOM 1639 CG PRO A 105 -16.837 -8.687 8.908 1.00 0.00 C ATOM 1640 CD PRO A 105 -15.448 -8.917 9.479 1.00 0.00 C ATOM 0 HA PRO A 105 -14.823 -7.749 6.472 1.00 0.00 H new ATOM 0 HB2 PRO A 105 -17.367 -7.204 7.422 1.00 0.00 H new ATOM 0 HB3 PRO A 105 -16.901 -8.751 6.745 1.00 0.00 H new ATOM 0 HG2 PRO A 105 -17.420 -8.045 9.568 1.00 0.00 H new ATOM 0 HG3 PRO A 105 -17.376 -9.631 8.824 1.00 0.00 H new ATOM 0 HD2 PRO A 105 -15.338 -8.444 10.455 1.00 0.00 H new ATOM 0 HD3 PRO A 105 -15.247 -9.980 9.615 1.00 0.00 H new ATOM 1648 N LYS A 106 -14.503 -5.728 8.833 1.00 0.00 N ATOM 1649 CA LYS A 106 -14.292 -4.332 9.178 1.00 0.00 C ATOM 1650 C LYS A 106 -12.909 -3.894 8.690 1.00 0.00 C ATOM 1651 O LYS A 106 -12.719 -2.742 8.305 1.00 0.00 O ATOM 1652 CB LYS A 106 -14.514 -4.111 10.675 1.00 0.00 C ATOM 1653 CG LYS A 106 -14.736 -2.629 10.983 1.00 0.00 C ATOM 1654 CD LYS A 106 -14.518 -2.339 12.470 1.00 0.00 C ATOM 1655 CE LYS A 106 -14.347 -0.839 12.717 1.00 0.00 C ATOM 1656 NZ LYS A 106 -15.666 -0.185 12.870 1.00 0.00 N ATOM 0 H LYS A 106 -14.175 -6.395 9.532 1.00 0.00 H new ATOM 0 HA LYS A 106 -15.023 -3.700 8.674 1.00 0.00 H new ATOM 0 HB2 LYS A 106 -15.377 -4.688 11.008 1.00 0.00 H new ATOM 0 HB3 LYS A 106 -13.652 -4.477 11.232 1.00 0.00 H new ATOM 0 HG2 LYS A 106 -14.053 -2.024 10.387 1.00 0.00 H new ATOM 0 HG3 LYS A 106 -15.748 -2.342 10.697 1.00 0.00 H new ATOM 0 HD2 LYS A 106 -15.366 -2.711 13.045 1.00 0.00 H new ATOM 0 HD3 LYS A 106 -13.635 -2.872 12.822 1.00 0.00 H new ATOM 0 HE2 LYS A 106 -13.749 -0.678 13.614 1.00 0.00 H new ATOM 0 HE3 LYS A 106 -13.805 -0.387 11.886 1.00 0.00 H new ATOM 0 HZ1 LYS A 106 -15.532 0.833 13.037 1.00 0.00 H new ATOM 0 HZ2 LYS A 106 -16.224 -0.323 12.004 1.00 0.00 H new ATOM 0 HZ3 LYS A 106 -16.170 -0.605 13.677 1.00 0.00 H new ATOM 1670 N GLU A 107 -11.979 -4.838 8.724 1.00 0.00 N ATOM 1671 CA GLU A 107 -10.619 -4.564 8.290 1.00 0.00 C ATOM 1672 C GLU A 107 -10.598 -4.208 6.802 1.00 0.00 C ATOM 1673 O GLU A 107 -9.857 -3.320 6.383 1.00 0.00 O ATOM 1674 CB GLU A 107 -9.701 -5.752 8.583 1.00 0.00 C ATOM 1675 CG GLU A 107 -8.310 -5.530 7.985 1.00 0.00 C ATOM 1676 CD GLU A 107 -7.216 -5.850 9.006 1.00 0.00 C ATOM 1677 OE1 GLU A 107 -7.042 -7.054 9.292 1.00 0.00 O ATOM 1678 OE2 GLU A 107 -6.580 -4.882 9.476 1.00 0.00 O ATOM 0 H GLU A 107 -12.140 -5.793 9.045 1.00 0.00 H new ATOM 0 HA GLU A 107 -10.244 -3.709 8.853 1.00 0.00 H new ATOM 0 HB2 GLU A 107 -9.619 -5.896 9.660 1.00 0.00 H new ATOM 0 HB3 GLU A 107 -10.136 -6.663 8.172 1.00 0.00 H new ATOM 0 HG2 GLU A 107 -8.185 -6.159 7.104 1.00 0.00 H new ATOM 0 HG3 GLU A 107 -8.213 -4.496 7.655 1.00 0.00 H new ATOM 1685 N ARG A 108 -11.420 -4.920 6.045 1.00 0.00 N ATOM 1686 CA ARG A 108 -11.505 -4.690 4.612 1.00 0.00 C ATOM 1687 C ARG A 108 -11.888 -3.236 4.329 1.00 0.00 C ATOM 1688 O ARG A 108 -11.294 -2.591 3.468 1.00 0.00 O ATOM 1689 CB ARG A 108 -12.536 -5.618 3.966 1.00 0.00 C ATOM 1690 CG ARG A 108 -12.675 -5.326 2.471 1.00 0.00 C ATOM 1691 CD ARG A 108 -13.823 -4.350 2.206 1.00 0.00 C ATOM 1692 NE ARG A 108 -15.117 -5.068 2.249 1.00 0.00 N ATOM 1693 CZ ARG A 108 -15.915 -5.113 3.324 1.00 0.00 C ATOM 1694 NH1 ARG A 108 -15.557 -4.483 4.452 1.00 0.00 N ATOM 1695 NH2 ARG A 108 -17.071 -5.788 3.273 1.00 0.00 N ATOM 0 H ARG A 108 -12.033 -5.656 6.396 1.00 0.00 H new ATOM 0 HA ARG A 108 -10.525 -4.900 4.183 1.00 0.00 H new ATOM 0 HB2 ARG A 108 -12.238 -6.656 4.111 1.00 0.00 H new ATOM 0 HB3 ARG A 108 -13.501 -5.492 4.456 1.00 0.00 H new ATOM 0 HG2 ARG A 108 -11.743 -4.908 2.091 1.00 0.00 H new ATOM 0 HG3 ARG A 108 -12.852 -6.256 1.930 1.00 0.00 H new ATOM 0 HD2 ARG A 108 -13.814 -3.554 2.951 1.00 0.00 H new ATOM 0 HD3 ARG A 108 -13.692 -3.877 1.233 1.00 0.00 H new ATOM 0 HE ARG A 108 -15.420 -5.559 1.408 1.00 0.00 H new ATOM 0 HH11 ARG A 108 -14.677 -3.969 4.492 1.00 0.00 H new ATOM 0 HH12 ARG A 108 -16.165 -4.517 5.270 1.00 0.00 H new ATOM 0 HH21 ARG A 108 -17.344 -6.268 2.415 1.00 0.00 H new ATOM 0 HH22 ARG A 108 -17.678 -5.822 4.092 1.00 0.00 H new ATOM 1709 N THR A 109 -12.879 -2.764 5.072 1.00 0.00 N ATOM 1710 CA THR A 109 -13.349 -1.398 4.911 1.00 0.00 C ATOM 1711 C THR A 109 -12.312 -0.411 5.451 1.00 0.00 C ATOM 1712 O THR A 109 -12.056 0.623 4.837 1.00 0.00 O ATOM 1713 CB THR A 109 -14.712 -1.284 5.597 1.00 0.00 C ATOM 1714 OG1 THR A 109 -15.641 -1.672 4.589 1.00 0.00 O ATOM 1715 CG2 THR A 109 -15.088 0.165 5.912 1.00 0.00 C ATOM 0 H THR A 109 -13.369 -3.303 5.786 1.00 0.00 H new ATOM 0 HA THR A 109 -13.476 -1.144 3.859 1.00 0.00 H new ATOM 0 HB THR A 109 -14.705 -1.866 6.518 1.00 0.00 H new ATOM 0 HG1 THR A 109 -16.551 -1.629 4.949 1.00 0.00 H new ATOM 0 HG21 THR A 109 -16.063 0.190 6.398 1.00 0.00 H new ATOM 0 HG22 THR A 109 -14.340 0.599 6.576 1.00 0.00 H new ATOM 0 HG23 THR A 109 -15.129 0.740 4.987 1.00 0.00 H new ATOM 1723 N GLU A 110 -11.744 -0.765 6.595 1.00 0.00 N ATOM 1724 CA GLU A 110 -10.741 0.077 7.224 1.00 0.00 C ATOM 1725 C GLU A 110 -9.539 0.257 6.294 1.00 0.00 C ATOM 1726 O GLU A 110 -9.159 1.383 5.977 1.00 0.00 O ATOM 1727 CB GLU A 110 -10.308 -0.501 8.573 1.00 0.00 C ATOM 1728 CG GLU A 110 -11.394 -0.296 9.631 1.00 0.00 C ATOM 1729 CD GLU A 110 -10.779 0.049 10.989 1.00 0.00 C ATOM 1730 OE1 GLU A 110 -10.558 1.257 11.222 1.00 0.00 O ATOM 1731 OE2 GLU A 110 -10.543 -0.904 11.763 1.00 0.00 O ATOM 0 H GLU A 110 -11.960 -1.623 7.102 1.00 0.00 H new ATOM 0 HA GLU A 110 -11.182 1.056 7.410 1.00 0.00 H new ATOM 0 HB2 GLU A 110 -10.096 -1.565 8.466 1.00 0.00 H new ATOM 0 HB3 GLU A 110 -9.384 -0.023 8.898 1.00 0.00 H new ATOM 0 HG2 GLU A 110 -12.065 0.504 9.318 1.00 0.00 H new ATOM 0 HG3 GLU A 110 -11.996 -1.201 9.720 1.00 0.00 H new ATOM 1738 N TRP A 111 -8.976 -0.870 5.883 1.00 0.00 N ATOM 1739 CA TRP A 111 -7.825 -0.850 4.996 1.00 0.00 C ATOM 1740 C TRP A 111 -8.109 0.152 3.875 1.00 0.00 C ATOM 1741 O TRP A 111 -7.373 1.123 3.705 1.00 0.00 O ATOM 1742 CB TRP A 111 -7.510 -2.254 4.476 1.00 0.00 C ATOM 1743 CG TRP A 111 -6.392 -2.965 5.243 1.00 0.00 C ATOM 1744 CD1 TRP A 111 -6.441 -4.155 5.858 1.00 0.00 C ATOM 1745 CD2 TRP A 111 -5.049 -2.479 5.452 1.00 0.00 C ATOM 1746 NE1 TRP A 111 -5.233 -4.470 6.446 1.00 0.00 N ATOM 1747 CE2 TRP A 111 -4.360 -3.419 6.191 1.00 0.00 C ATOM 1748 CE3 TRP A 111 -4.438 -1.286 5.030 1.00 0.00 C ATOM 1749 CZ2 TRP A 111 -3.022 -3.262 6.573 1.00 0.00 C ATOM 1750 CZ3 TRP A 111 -3.100 -1.144 5.420 1.00 0.00 C ATOM 1751 CH2 TRP A 111 -2.392 -2.081 6.164 1.00 0.00 C ATOM 0 H TRP A 111 -9.295 -1.802 6.148 1.00 0.00 H new ATOM 0 HA TRP A 111 -6.931 -0.530 5.531 1.00 0.00 H new ATOM 0 HB2 TRP A 111 -8.414 -2.861 4.527 1.00 0.00 H new ATOM 0 HB3 TRP A 111 -7.230 -2.187 3.425 1.00 0.00 H new ATOM 0 HD1 TRP A 111 -7.316 -4.788 5.889 1.00 0.00 H new ATOM 0 HE1 TRP A 111 -5.020 -5.318 6.971 1.00 0.00 H new ATOM 0 HE3 TRP A 111 -4.959 -0.538 4.451 1.00 0.00 H new ATOM 0 HZ2 TRP A 111 -2.504 -4.012 7.152 1.00 0.00 H new ATOM 0 HZ3 TRP A 111 -2.583 -0.244 5.122 1.00 0.00 H new ATOM 0 HH2 TRP A 111 -1.360 -1.898 6.425 1.00 0.00 H new ATOM 1762 N ILE A 112 -9.178 -0.118 3.140 1.00 0.00 N ATOM 1763 CA ILE A 112 -9.568 0.748 2.041 1.00 0.00 C ATOM 1764 C ILE A 112 -9.442 2.209 2.479 1.00 0.00 C ATOM 1765 O ILE A 112 -8.634 2.957 1.931 1.00 0.00 O ATOM 1766 CB ILE A 112 -10.963 0.376 1.535 1.00 0.00 C ATOM 1767 CG1 ILE A 112 -10.884 -0.697 0.447 1.00 0.00 C ATOM 1768 CG2 ILE A 112 -11.724 1.617 1.061 1.00 0.00 C ATOM 1769 CD1 ILE A 112 -11.612 -1.971 0.881 1.00 0.00 C ATOM 0 H ILE A 112 -9.786 -0.924 3.284 1.00 0.00 H new ATOM 0 HA ILE A 112 -8.899 0.611 1.192 1.00 0.00 H new ATOM 0 HB ILE A 112 -11.525 -0.049 2.367 1.00 0.00 H new ATOM 0 HG12 ILE A 112 -11.324 -0.318 -0.475 1.00 0.00 H new ATOM 0 HG13 ILE A 112 -9.840 -0.926 0.231 1.00 0.00 H new ATOM 0 HG21 ILE A 112 -12.712 1.324 0.706 1.00 0.00 H new ATOM 0 HG22 ILE A 112 -11.828 2.318 1.889 1.00 0.00 H new ATOM 0 HG23 ILE A 112 -11.174 2.093 0.250 1.00 0.00 H new ATOM 0 HD11 ILE A 112 -11.541 -2.718 0.090 1.00 0.00 H new ATOM 0 HD12 ILE A 112 -11.154 -2.360 1.790 1.00 0.00 H new ATOM 0 HD13 ILE A 112 -12.661 -1.744 1.072 1.00 0.00 H new ATOM 1781 N LYS A 113 -10.254 2.571 3.461 1.00 0.00 N ATOM 1782 CA LYS A 113 -10.243 3.929 3.978 1.00 0.00 C ATOM 1783 C LYS A 113 -8.822 4.294 4.411 1.00 0.00 C ATOM 1784 O LYS A 113 -8.451 5.467 4.409 1.00 0.00 O ATOM 1785 CB LYS A 113 -11.284 4.087 5.089 1.00 0.00 C ATOM 1786 CG LYS A 113 -12.627 3.484 4.672 1.00 0.00 C ATOM 1787 CD LYS A 113 -13.751 4.514 4.793 1.00 0.00 C ATOM 1788 CE LYS A 113 -14.629 4.227 6.013 1.00 0.00 C ATOM 1789 NZ LYS A 113 -15.031 5.490 6.671 1.00 0.00 N ATOM 0 H LYS A 113 -10.924 1.948 3.912 1.00 0.00 H new ATOM 0 HA LYS A 113 -10.531 4.636 3.199 1.00 0.00 H new ATOM 0 HB2 LYS A 113 -10.929 3.600 5.997 1.00 0.00 H new ATOM 0 HB3 LYS A 113 -11.413 5.144 5.324 1.00 0.00 H new ATOM 0 HG2 LYS A 113 -12.566 3.126 3.644 1.00 0.00 H new ATOM 0 HG3 LYS A 113 -12.852 2.620 5.297 1.00 0.00 H new ATOM 0 HD2 LYS A 113 -13.325 5.514 4.874 1.00 0.00 H new ATOM 0 HD3 LYS A 113 -14.361 4.499 3.890 1.00 0.00 H new ATOM 0 HE2 LYS A 113 -15.515 3.671 5.708 1.00 0.00 H new ATOM 0 HE3 LYS A 113 -14.086 3.599 6.719 1.00 0.00 H new ATOM 0 HZ1 LYS A 113 -15.626 5.277 7.497 1.00 0.00 H new ATOM 0 HZ2 LYS A 113 -14.182 6.006 6.980 1.00 0.00 H new ATOM 0 HZ3 LYS A 113 -15.567 6.076 6.000 1.00 0.00 H new ATOM 1803 N ALA A 114 -8.065 3.268 4.770 1.00 0.00 N ATOM 1804 CA ALA A 114 -6.692 3.467 5.204 1.00 0.00 C ATOM 1805 C ALA A 114 -5.828 3.835 3.996 1.00 0.00 C ATOM 1806 O ALA A 114 -5.188 4.885 3.983 1.00 0.00 O ATOM 1807 CB ALA A 114 -6.194 2.207 5.915 1.00 0.00 C ATOM 0 H ALA A 114 -8.376 2.296 4.769 1.00 0.00 H new ATOM 0 HA ALA A 114 -6.630 4.290 5.916 1.00 0.00 H new ATOM 0 HB1 ALA A 114 -5.164 2.356 6.241 1.00 0.00 H new ATOM 0 HB2 ALA A 114 -6.823 2.006 6.782 1.00 0.00 H new ATOM 0 HB3 ALA A 114 -6.239 1.361 5.230 1.00 0.00 H new ATOM 1813 N ILE A 115 -5.838 2.950 3.010 1.00 0.00 N ATOM 1814 CA ILE A 115 -5.063 3.168 1.801 1.00 0.00 C ATOM 1815 C ILE A 115 -5.498 4.484 1.152 1.00 0.00 C ATOM 1816 O ILE A 115 -4.661 5.268 0.709 1.00 0.00 O ATOM 1817 CB ILE A 115 -5.170 1.959 0.870 1.00 0.00 C ATOM 1818 CG1 ILE A 115 -4.570 0.711 1.522 1.00 0.00 C ATOM 1819 CG2 ILE A 115 -4.536 2.256 -0.490 1.00 0.00 C ATOM 1820 CD1 ILE A 115 -5.635 -0.369 1.721 1.00 0.00 C ATOM 0 H ILE A 115 -6.371 2.080 3.024 1.00 0.00 H new ATOM 0 HA ILE A 115 -4.004 3.264 2.040 1.00 0.00 H new ATOM 0 HB ILE A 115 -6.226 1.755 0.695 1.00 0.00 H new ATOM 0 HG12 ILE A 115 -3.765 0.322 0.899 1.00 0.00 H new ATOM 0 HG13 ILE A 115 -4.130 0.975 2.484 1.00 0.00 H new ATOM 0 HG21 ILE A 115 -4.626 1.380 -1.132 1.00 0.00 H new ATOM 0 HG22 ILE A 115 -5.047 3.100 -0.953 1.00 0.00 H new ATOM 0 HG23 ILE A 115 -3.482 2.500 -0.355 1.00 0.00 H new ATOM 0 HD11 ILE A 115 -5.182 -1.245 2.186 1.00 0.00 H new ATOM 0 HD12 ILE A 115 -6.427 0.015 2.364 1.00 0.00 H new ATOM 0 HD13 ILE A 115 -6.056 -0.648 0.755 1.00 0.00 H new ATOM 1832 N GLN A 116 -6.808 4.684 1.117 1.00 0.00 N ATOM 1833 CA GLN A 116 -7.365 5.891 0.530 1.00 0.00 C ATOM 1834 C GLN A 116 -6.807 7.130 1.233 1.00 0.00 C ATOM 1835 O GLN A 116 -6.302 8.043 0.583 1.00 0.00 O ATOM 1836 CB GLN A 116 -8.894 5.871 0.583 1.00 0.00 C ATOM 1837 CG GLN A 116 -9.452 4.644 -0.141 1.00 0.00 C ATOM 1838 CD GLN A 116 -10.365 5.058 -1.297 1.00 0.00 C ATOM 1839 OE1 GLN A 116 -11.451 4.302 -1.426 1.00 0.00 O flip ATOM 1840 NE2 GLN A 116 -10.101 6.002 -2.023 1.00 0.00 N flip ATOM 0 H GLN A 116 -7.499 4.031 1.486 1.00 0.00 H new ATOM 0 HA GLN A 116 -7.071 5.931 -0.519 1.00 0.00 H new ATOM 0 HB2 GLN A 116 -9.225 5.867 1.621 1.00 0.00 H new ATOM 0 HB3 GLN A 116 -9.289 6.778 0.126 1.00 0.00 H new ATOM 0 HG2 GLN A 116 -8.631 4.037 -0.521 1.00 0.00 H new ATOM 0 HG3 GLN A 116 -10.008 4.024 0.562 1.00 0.00 H new ATOM 0 HE21 GLN A 116 -9.249 6.542 -1.869 1.00 0.00 H new ATOM 0 HE22 GLN A 116 -10.732 6.252 -2.784 1.00 0.00 H new ATOM 1849 N MET A 117 -6.918 7.121 2.554 1.00 0.00 N ATOM 1850 CA MET A 117 -6.431 8.232 3.353 1.00 0.00 C ATOM 1851 C MET A 117 -5.011 8.625 2.939 1.00 0.00 C ATOM 1852 O MET A 117 -4.708 9.807 2.790 1.00 0.00 O ATOM 1853 CB MET A 117 -6.442 7.841 4.832 1.00 0.00 C ATOM 1854 CG MET A 117 -5.044 7.958 5.441 1.00 0.00 C ATOM 1855 SD MET A 117 -5.125 7.722 7.208 1.00 0.00 S ATOM 1856 CE MET A 117 -5.814 6.076 7.269 1.00 0.00 C ATOM 0 H MET A 117 -7.338 6.362 3.090 1.00 0.00 H new ATOM 0 HA MET A 117 -7.087 9.087 3.189 1.00 0.00 H new ATOM 0 HB2 MET A 117 -7.134 8.483 5.376 1.00 0.00 H new ATOM 0 HB3 MET A 117 -6.805 6.819 4.939 1.00 0.00 H new ATOM 0 HG2 MET A 117 -4.382 7.215 4.997 1.00 0.00 H new ATOM 0 HG3 MET A 117 -4.621 8.937 5.216 1.00 0.00 H new ATOM 0 HE1 MET A 117 -5.752 5.693 8.288 1.00 0.00 H new ATOM 0 HE2 MET A 117 -6.858 6.107 6.956 1.00 0.00 H new ATOM 0 HE3 MET A 117 -5.254 5.422 6.601 1.00 0.00 H new ATOM 1866 N ALA A 118 -4.178 7.609 2.765 1.00 0.00 N ATOM 1867 CA ALA A 118 -2.797 7.833 2.372 1.00 0.00 C ATOM 1868 C ALA A 118 -2.758 8.332 0.926 1.00 0.00 C ATOM 1869 O ALA A 118 -2.387 9.477 0.671 1.00 0.00 O ATOM 1870 CB ALA A 118 -1.996 6.544 2.566 1.00 0.00 C ATOM 0 H ALA A 118 -4.433 6.629 2.889 1.00 0.00 H new ATOM 0 HA ALA A 118 -2.339 8.599 2.998 1.00 0.00 H new ATOM 0 HB1 ALA A 118 -0.960 6.712 2.271 1.00 0.00 H new ATOM 0 HB2 ALA A 118 -2.032 6.248 3.614 1.00 0.00 H new ATOM 0 HB3 ALA A 118 -2.425 5.753 1.951 1.00 0.00 H new ATOM 1876 N SER A 119 -3.145 7.449 0.018 1.00 0.00 N ATOM 1877 CA SER A 119 -3.159 7.785 -1.395 1.00 0.00 C ATOM 1878 C SER A 119 -3.618 9.233 -1.584 1.00 0.00 C ATOM 1879 O SER A 119 -2.969 10.007 -2.286 1.00 0.00 O ATOM 1880 CB SER A 119 -4.066 6.835 -2.179 1.00 0.00 C ATOM 1881 OG SER A 119 -5.420 6.904 -1.739 1.00 0.00 O ATOM 0 H SER A 119 -3.452 6.500 0.234 1.00 0.00 H new ATOM 0 HA SER A 119 -2.146 7.678 -1.782 1.00 0.00 H new ATOM 0 HB2 SER A 119 -4.017 7.080 -3.240 1.00 0.00 H new ATOM 0 HB3 SER A 119 -3.701 5.814 -2.070 1.00 0.00 H new ATOM 0 HG SER A 119 -5.449 7.246 -0.821 1.00 0.00 H new ATOM 1887 N ARG A 120 -4.733 9.555 -0.945 1.00 0.00 N ATOM 1888 CA ARG A 120 -5.286 10.896 -1.034 1.00 0.00 C ATOM 1889 C ARG A 120 -4.352 11.900 -0.355 1.00 0.00 C ATOM 1890 O ARG A 120 -4.063 12.958 -0.912 1.00 0.00 O ATOM 1891 CB ARG A 120 -6.665 10.967 -0.377 1.00 0.00 C ATOM 1892 CG ARG A 120 -7.684 10.123 -1.146 1.00 0.00 C ATOM 1893 CD ARG A 120 -9.113 10.574 -0.839 1.00 0.00 C ATOM 1894 NE ARG A 120 -10.062 9.913 -1.763 1.00 0.00 N ATOM 1895 CZ ARG A 120 -10.326 10.343 -3.004 1.00 0.00 C ATOM 1896 NH1 ARG A 120 -9.714 11.437 -3.478 1.00 0.00 N ATOM 1897 NH2 ARG A 120 -11.201 9.679 -3.771 1.00 0.00 N ATOM 0 H ARG A 120 -5.269 8.910 -0.363 1.00 0.00 H new ATOM 0 HA ARG A 120 -5.387 11.145 -2.090 1.00 0.00 H new ATOM 0 HB2 ARG A 120 -6.600 10.615 0.653 1.00 0.00 H new ATOM 0 HB3 ARG A 120 -7.001 12.003 -0.339 1.00 0.00 H new ATOM 0 HG2 ARG A 120 -7.495 10.205 -2.216 1.00 0.00 H new ATOM 0 HG3 ARG A 120 -7.566 9.072 -0.881 1.00 0.00 H new ATOM 0 HD2 ARG A 120 -9.367 10.329 0.192 1.00 0.00 H new ATOM 0 HD3 ARG A 120 -9.191 11.657 -0.938 1.00 0.00 H new ATOM 0 HE ARG A 120 -10.545 9.077 -1.434 1.00 0.00 H new ATOM 0 HH11 ARG A 120 -9.047 11.942 -2.894 1.00 0.00 H new ATOM 0 HH12 ARG A 120 -9.915 11.765 -4.423 1.00 0.00 H new ATOM 0 HH21 ARG A 120 -11.666 8.846 -3.410 1.00 0.00 H new ATOM 0 HH22 ARG A 120 -11.402 10.006 -4.716 1.00 0.00 H new