USER MOD reduce.3.24.130724 H: found=0, std=0, add=705, rem=0, adj=14 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 180:sc= -0.262 USER MOD Set 1.2: A 64 HIS : no HD1:sc= -4.62! K(o=-4.9!,f=-2.8) USER MOD Single : A 20 LYS NZ :NH3+ 150:sc= -1.67 (180deg=-5.17!) USER MOD Single : A 21 GLN : amide:sc= -5.5! C(o=-5.5!,f=-5.8!) USER MOD Single : A 23 CYS SG : rot 180:sc= 0 USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 HIS : no HD1:sc= -0.586 K(o=-0.59,f=-4.2!) USER MOD Single : A 50 TYR OH : rot 180:sc= 0 USER MOD Single : A 51 TYR OH : rot 180:sc= -0.218 USER MOD Single : A 68 CYS SG : rot -82:sc= -3.36! 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= -0.635 X(o=-0.64,f=-0.23) USER MOD Single : A 92 THR OG1 : rot 130:sc= -1.25 USER MOD Single : A 97 HIS : no HD1:sc= -4.35! C(o=-4.4!,f=-4.2!) USER MOD Single : A 98 TYR OH : rot 180:sc= -0.401 USER MOD Single : A 101 GLN : amide:sc= 0 X(o=0,f=-0.093) USER MOD Single : A 104 THR OG1 : rot 180:sc= 0.00179 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= -1.51 X(o=-1.5,f=-1.1) USER MOD Single : A 117 MET CE :methyl 168:sc= -2.2 (180deg=-3.19!) USER MOD Single : A 119 SER OG : rot -22:sc= -0.822 USER MOD ----------------------------------------------------------------- ATOM 223 N VAL A 17 5.116 8.512 8.547 1.00 0.00 N ATOM 224 CA VAL A 17 4.597 7.672 9.613 1.00 0.00 C ATOM 225 C VAL A 17 3.601 6.669 9.027 1.00 0.00 C ATOM 226 O VAL A 17 3.191 6.797 7.875 1.00 0.00 O ATOM 227 CB VAL A 17 3.991 8.541 10.716 1.00 0.00 C ATOM 228 CG1 VAL A 17 2.540 8.904 10.394 1.00 0.00 C ATOM 229 CG2 VAL A 17 4.095 7.851 12.077 1.00 0.00 C ATOM 0 HA VAL A 17 5.402 7.100 10.074 1.00 0.00 H new ATOM 0 HB VAL A 17 4.564 9.467 10.765 1.00 0.00 H new ATOM 0 HG11 VAL A 17 2.133 9.522 11.194 1.00 0.00 H new ATOM 0 HG12 VAL A 17 2.503 9.456 9.455 1.00 0.00 H new ATOM 0 HG13 VAL A 17 1.949 7.993 10.303 1.00 0.00 H new ATOM 0 HG21 VAL A 17 3.657 8.490 12.843 1.00 0.00 H new ATOM 0 HG22 VAL A 17 3.559 6.902 12.046 1.00 0.00 H new ATOM 0 HG23 VAL A 17 5.143 7.668 12.313 1.00 0.00 H new ATOM 239 N ILE A 18 3.241 5.693 9.848 1.00 0.00 N ATOM 240 CA ILE A 18 2.301 4.669 9.426 1.00 0.00 C ATOM 241 C ILE A 18 0.902 5.029 9.929 1.00 0.00 C ATOM 242 O ILE A 18 0.759 5.780 10.893 1.00 0.00 O ATOM 243 CB ILE A 18 2.778 3.286 9.873 1.00 0.00 C ATOM 244 CG1 ILE A 18 3.941 2.800 9.005 1.00 0.00 C ATOM 245 CG2 ILE A 18 1.620 2.286 9.893 1.00 0.00 C ATOM 246 CD1 ILE A 18 4.852 1.853 9.789 1.00 0.00 C ATOM 0 H ILE A 18 3.584 5.590 10.803 1.00 0.00 H new ATOM 0 HA ILE A 18 2.248 4.626 8.338 1.00 0.00 H new ATOM 0 HB ILE A 18 3.150 3.367 10.894 1.00 0.00 H new ATOM 0 HG12 ILE A 18 3.553 2.290 8.123 1.00 0.00 H new ATOM 0 HG13 ILE A 18 4.517 3.655 8.651 1.00 0.00 H new ATOM 0 HG21 ILE A 18 1.987 1.311 10.214 1.00 0.00 H new ATOM 0 HG22 ILE A 18 0.853 2.631 10.586 1.00 0.00 H new ATOM 0 HG23 ILE A 18 1.194 2.202 8.893 1.00 0.00 H new ATOM 0 HD11 ILE A 18 5.670 1.522 9.149 1.00 0.00 H new ATOM 0 HD12 ILE A 18 5.257 2.373 10.657 1.00 0.00 H new ATOM 0 HD13 ILE A 18 4.278 0.988 10.120 1.00 0.00 H new ATOM 258 N ILE A 19 -0.096 4.476 9.254 1.00 0.00 N ATOM 259 CA ILE A 19 -1.479 4.730 9.620 1.00 0.00 C ATOM 260 C ILE A 19 -2.164 3.404 9.956 1.00 0.00 C ATOM 261 O ILE A 19 -2.945 3.327 10.903 1.00 0.00 O ATOM 262 CB ILE A 19 -2.186 5.527 8.522 1.00 0.00 C ATOM 263 CG1 ILE A 19 -1.793 5.018 7.134 1.00 0.00 C ATOM 264 CG2 ILE A 19 -1.925 7.026 8.678 1.00 0.00 C ATOM 265 CD1 ILE A 19 -0.574 5.772 6.599 1.00 0.00 C ATOM 0 H ILE A 19 0.026 3.853 8.456 1.00 0.00 H new ATOM 0 HA ILE A 19 -1.529 5.351 10.514 1.00 0.00 H new ATOM 0 HB ILE A 19 -3.260 5.374 8.628 1.00 0.00 H new ATOM 0 HG12 ILE A 19 -1.573 3.952 7.183 1.00 0.00 H new ATOM 0 HG13 ILE A 19 -2.631 5.140 6.447 1.00 0.00 H new ATOM 0 HG21 ILE A 19 -2.439 7.569 7.885 1.00 0.00 H new ATOM 0 HG22 ILE A 19 -2.296 7.361 9.647 1.00 0.00 H new ATOM 0 HG23 ILE A 19 -0.854 7.217 8.614 1.00 0.00 H new ATOM 0 HD11 ILE A 19 -0.315 5.391 5.611 1.00 0.00 H new ATOM 0 HD12 ILE A 19 -0.806 6.835 6.529 1.00 0.00 H new ATOM 0 HD13 ILE A 19 0.269 5.628 7.275 1.00 0.00 H new ATOM 277 N LYS A 20 -1.847 2.393 9.161 1.00 0.00 N ATOM 278 CA LYS A 20 -2.422 1.074 9.362 1.00 0.00 C ATOM 279 C LYS A 20 -1.458 0.014 8.826 1.00 0.00 C ATOM 280 O LYS A 20 -0.875 0.184 7.756 1.00 0.00 O ATOM 281 CB LYS A 20 -3.821 1.000 8.746 1.00 0.00 C ATOM 282 CG LYS A 20 -4.380 -0.423 8.824 1.00 0.00 C ATOM 283 CD LYS A 20 -5.899 -0.406 9.007 1.00 0.00 C ATOM 284 CE LYS A 20 -6.527 -1.706 8.502 1.00 0.00 C ATOM 285 NZ LYS A 20 -7.583 -2.167 9.430 1.00 0.00 N ATOM 0 H LYS A 20 -1.199 2.461 8.376 1.00 0.00 H new ATOM 0 HA LYS A 20 -2.555 0.875 10.425 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -4.489 1.686 9.267 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -3.782 1.323 7.706 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -4.126 -0.968 7.915 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -3.916 -0.955 9.655 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -6.140 -0.267 10.061 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -6.324 0.441 8.468 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -6.950 -1.551 7.509 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -5.759 -2.474 8.405 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -8.309 -2.688 8.898 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -7.165 -2.791 10.149 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -8.018 -1.346 9.896 1.00 0.00 H new ATOM 299 N GLN A 21 -1.319 -1.057 9.594 1.00 0.00 N ATOM 300 CA GLN A 21 -0.435 -2.144 9.210 1.00 0.00 C ATOM 301 C GLN A 21 -0.820 -3.427 9.949 1.00 0.00 C ATOM 302 O GLN A 21 -1.461 -3.376 10.997 1.00 0.00 O ATOM 303 CB GLN A 21 1.028 -1.779 9.470 1.00 0.00 C ATOM 304 CG GLN A 21 1.364 -1.888 10.959 1.00 0.00 C ATOM 305 CD GLN A 21 1.877 -0.554 11.504 1.00 0.00 C ATOM 306 OE1 GLN A 21 1.119 0.342 11.840 1.00 0.00 O ATOM 307 NE2 GLN A 21 3.203 -0.471 11.573 1.00 0.00 N ATOM 0 H GLN A 21 -1.804 -1.195 10.481 1.00 0.00 H new ATOM 0 HA GLN A 21 -0.547 -2.317 8.140 1.00 0.00 H new ATOM 0 HB2 GLN A 21 1.679 -2.440 8.897 1.00 0.00 H new ATOM 0 HB3 GLN A 21 1.220 -0.764 9.123 1.00 0.00 H new ATOM 0 HG2 GLN A 21 0.478 -2.195 11.514 1.00 0.00 H new ATOM 0 HG3 GLN A 21 2.118 -2.661 11.110 1.00 0.00 H new ATOM 0 HE21 GLN A 21 3.779 -1.258 11.275 1.00 0.00 H new ATOM 0 HE22 GLN A 21 3.643 0.380 11.924 1.00 0.00 H new ATOM 316 N GLY A 22 -0.411 -4.549 9.374 1.00 0.00 N ATOM 317 CA GLY A 22 -0.705 -5.843 9.965 1.00 0.00 C ATOM 318 C GLY A 22 -0.353 -6.978 9.001 1.00 0.00 C ATOM 319 O GLY A 22 0.669 -6.923 8.318 1.00 0.00 O ATOM 0 H GLY A 22 0.122 -4.588 8.505 1.00 0.00 H new ATOM 0 HA2 GLY A 22 -0.143 -5.960 10.891 1.00 0.00 H new ATOM 0 HA3 GLY A 22 -1.762 -5.896 10.225 1.00 0.00 H new ATOM 323 N CYS A 23 -1.218 -7.981 8.978 1.00 0.00 N ATOM 324 CA CYS A 23 -1.011 -9.128 8.109 1.00 0.00 C ATOM 325 C CYS A 23 -2.162 -9.182 7.103 1.00 0.00 C ATOM 326 O CYS A 23 -3.320 -8.991 7.468 1.00 0.00 O ATOM 327 CB CYS A 23 -0.889 -10.428 8.908 1.00 0.00 C ATOM 328 SG CYS A 23 0.714 -10.473 9.789 1.00 0.00 S ATOM 0 H CYS A 23 -2.064 -8.024 9.547 1.00 0.00 H new ATOM 0 HA CYS A 23 -0.068 -9.017 7.574 1.00 0.00 H new ATOM 0 HB2 CYS A 23 -1.708 -10.503 9.623 1.00 0.00 H new ATOM 0 HB3 CYS A 23 -0.970 -11.285 8.239 1.00 0.00 H new ATOM 0 HG CYS A 23 0.806 -11.579 10.466 1.00 0.00 H new ATOM 334 N LEU A 24 -1.802 -9.444 5.855 1.00 0.00 N ATOM 335 CA LEU A 24 -2.790 -9.526 4.793 1.00 0.00 C ATOM 336 C LEU A 24 -2.445 -10.697 3.870 1.00 0.00 C ATOM 337 O LEU A 24 -1.281 -11.074 3.748 1.00 0.00 O ATOM 338 CB LEU A 24 -2.908 -8.185 4.066 1.00 0.00 C ATOM 339 CG LEU A 24 -3.731 -7.108 4.776 1.00 0.00 C ATOM 340 CD1 LEU A 24 -3.949 -5.897 3.867 1.00 0.00 C ATOM 341 CD2 LEU A 24 -5.051 -7.680 5.296 1.00 0.00 C ATOM 0 H LEU A 24 -0.840 -9.602 5.556 1.00 0.00 H new ATOM 0 HA LEU A 24 -3.778 -9.726 5.207 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -1.904 -7.795 3.898 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -3.349 -8.363 3.085 1.00 0.00 H new ATOM 0 HG LEU A 24 -3.167 -6.763 5.642 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -4.537 -5.146 4.396 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -2.984 -5.473 3.589 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -4.482 -6.208 2.968 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -5.616 -6.894 5.796 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -5.633 -8.070 4.461 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -4.846 -8.485 6.002 1.00 0.00 H new ATOM 353 N LEU A 25 -3.479 -11.240 3.244 1.00 0.00 N ATOM 354 CA LEU A 25 -3.300 -12.360 2.336 1.00 0.00 C ATOM 355 C LEU A 25 -3.240 -11.841 0.898 1.00 0.00 C ATOM 356 O LEU A 25 -4.272 -11.562 0.292 1.00 0.00 O ATOM 357 CB LEU A 25 -4.386 -13.414 2.565 1.00 0.00 C ATOM 358 CG LEU A 25 -4.648 -13.802 4.021 1.00 0.00 C ATOM 359 CD1 LEU A 25 -3.390 -14.384 4.669 1.00 0.00 C ATOM 360 CD2 LEU A 25 -5.204 -12.616 4.813 1.00 0.00 C ATOM 0 H LEU A 25 -4.444 -10.925 3.348 1.00 0.00 H new ATOM 0 HA LEU A 25 -2.353 -12.863 2.533 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -5.318 -13.046 2.135 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -4.113 -14.314 2.014 1.00 0.00 H new ATOM 0 HG LEU A 25 -5.408 -14.583 4.034 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -3.604 -14.651 5.704 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -3.077 -15.273 4.122 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -2.591 -13.643 4.644 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -5.382 -12.919 5.845 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -4.485 -11.797 4.794 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -6.142 -12.287 4.365 1.00 0.00 H new ATOM 372 N LYS A 26 -2.019 -11.728 0.395 1.00 0.00 N ATOM 373 CA LYS A 26 -1.811 -11.248 -0.961 1.00 0.00 C ATOM 374 C LYS A 26 -1.970 -12.412 -1.940 1.00 0.00 C ATOM 375 O LYS A 26 -1.170 -13.346 -1.935 1.00 0.00 O ATOM 376 CB LYS A 26 -0.465 -10.529 -1.073 1.00 0.00 C ATOM 377 CG LYS A 26 -0.318 -9.851 -2.437 1.00 0.00 C ATOM 378 CD LYS A 26 1.152 -9.563 -2.750 1.00 0.00 C ATOM 379 CE LYS A 26 1.299 -8.881 -4.112 1.00 0.00 C ATOM 380 NZ LYS A 26 2.002 -9.769 -5.064 1.00 0.00 N ATOM 0 H LYS A 26 -1.165 -11.960 0.902 1.00 0.00 H new ATOM 0 HA LYS A 26 -2.566 -10.506 -1.223 1.00 0.00 H new ATOM 0 HB2 LYS A 26 -0.379 -9.784 -0.282 1.00 0.00 H new ATOM 0 HB3 LYS A 26 0.346 -11.243 -0.928 1.00 0.00 H new ATOM 0 HG2 LYS A 26 -0.740 -10.490 -3.212 1.00 0.00 H new ATOM 0 HG3 LYS A 26 -0.885 -8.920 -2.448 1.00 0.00 H new ATOM 0 HD2 LYS A 26 1.575 -8.926 -1.973 1.00 0.00 H new ATOM 0 HD3 LYS A 26 1.718 -10.494 -2.743 1.00 0.00 H new ATOM 0 HE2 LYS A 26 0.315 -8.624 -4.504 1.00 0.00 H new ATOM 0 HE3 LYS A 26 1.851 -7.948 -4.000 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 2.093 -9.290 -5.983 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 2.948 -9.994 -4.695 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 1.460 -10.648 -5.184 1.00 0.00 H new ATOM 394 N GLN A 27 -3.009 -12.319 -2.757 1.00 0.00 N ATOM 395 CA GLN A 27 -3.283 -13.353 -3.740 1.00 0.00 C ATOM 396 C GLN A 27 -2.858 -12.886 -5.134 1.00 0.00 C ATOM 397 O GLN A 27 -3.439 -11.952 -5.684 1.00 0.00 O ATOM 398 CB GLN A 27 -4.761 -13.749 -3.722 1.00 0.00 C ATOM 399 CG GLN A 27 -4.923 -15.251 -3.484 1.00 0.00 C ATOM 400 CD GLN A 27 -5.054 -16.005 -4.810 1.00 0.00 C ATOM 401 OE1 GLN A 27 -4.115 -16.127 -5.579 1.00 0.00 O ATOM 402 NE2 GLN A 27 -6.268 -16.501 -5.032 1.00 0.00 N ATOM 0 H GLN A 27 -3.671 -11.543 -2.758 1.00 0.00 H new ATOM 0 HA GLN A 27 -2.701 -14.237 -3.481 1.00 0.00 H new ATOM 0 HB2 GLN A 27 -5.280 -13.195 -2.940 1.00 0.00 H new ATOM 0 HB3 GLN A 27 -5.226 -13.475 -4.669 1.00 0.00 H new ATOM 0 HG2 GLN A 27 -4.064 -15.630 -2.929 1.00 0.00 H new ATOM 0 HG3 GLN A 27 -5.805 -15.433 -2.870 1.00 0.00 H new ATOM 0 HE21 GLN A 27 -7.009 -16.362 -4.345 1.00 0.00 H new ATOM 0 HE22 GLN A 27 -6.458 -17.021 -5.889 1.00 0.00 H new ATOM 543 N LYS A 35 -1.581 -16.330 0.926 1.00 0.00 N ATOM 544 CA LYS A 35 -0.388 -16.447 1.748 1.00 0.00 C ATOM 545 C LYS A 35 -0.295 -15.237 2.679 1.00 0.00 C ATOM 546 O LYS A 35 -0.239 -14.098 2.218 1.00 0.00 O ATOM 547 CB LYS A 35 0.849 -16.646 0.871 1.00 0.00 C ATOM 548 CG LYS A 35 1.397 -18.068 1.010 1.00 0.00 C ATOM 549 CD LYS A 35 2.881 -18.122 0.642 1.00 0.00 C ATOM 550 CE LYS A 35 3.317 -19.555 0.330 1.00 0.00 C ATOM 551 NZ LYS A 35 4.238 -20.056 1.375 1.00 0.00 N ATOM 0 HA LYS A 35 -0.446 -17.332 2.381 1.00 0.00 H new ATOM 0 HB2 LYS A 35 0.596 -16.450 -0.171 1.00 0.00 H new ATOM 0 HB3 LYS A 35 1.618 -15.927 1.153 1.00 0.00 H new ATOM 0 HG2 LYS A 35 1.260 -18.416 2.034 1.00 0.00 H new ATOM 0 HG3 LYS A 35 0.834 -18.743 0.366 1.00 0.00 H new ATOM 0 HD2 LYS A 35 3.068 -17.485 -0.222 1.00 0.00 H new ATOM 0 HD3 LYS A 35 3.478 -17.727 1.464 1.00 0.00 H new ATOM 0 HE2 LYS A 35 2.442 -20.202 0.267 1.00 0.00 H new ATOM 0 HE3 LYS A 35 3.808 -19.588 -0.642 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 4.524 -21.030 1.148 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 5.081 -19.448 1.415 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 3.757 -20.043 2.297 1.00 0.00 H new ATOM 565 N VAL A 36 -0.280 -15.524 3.972 1.00 0.00 N ATOM 566 CA VAL A 36 -0.193 -14.473 4.972 1.00 0.00 C ATOM 567 C VAL A 36 1.066 -13.641 4.723 1.00 0.00 C ATOM 568 O VAL A 36 2.135 -14.189 4.461 1.00 0.00 O ATOM 569 CB VAL A 36 -0.241 -15.081 6.375 1.00 0.00 C ATOM 570 CG1 VAL A 36 0.207 -14.064 7.428 1.00 0.00 C ATOM 571 CG2 VAL A 36 -1.637 -15.620 6.692 1.00 0.00 C ATOM 0 H VAL A 36 -0.327 -16.470 4.351 1.00 0.00 H new ATOM 0 HA VAL A 36 -1.047 -13.800 4.895 1.00 0.00 H new ATOM 0 HB VAL A 36 0.455 -15.920 6.401 1.00 0.00 H new ATOM 0 HG11 VAL A 36 0.164 -14.521 8.417 1.00 0.00 H new ATOM 0 HG12 VAL A 36 1.229 -13.749 7.218 1.00 0.00 H new ATOM 0 HG13 VAL A 36 -0.453 -13.197 7.400 1.00 0.00 H new ATOM 0 HG21 VAL A 36 -1.643 -16.047 7.695 1.00 0.00 H new ATOM 0 HG22 VAL A 36 -2.362 -14.807 6.639 1.00 0.00 H new ATOM 0 HG23 VAL A 36 -1.902 -16.391 5.968 1.00 0.00 H new ATOM 581 N ARG A 37 0.897 -12.330 4.814 1.00 0.00 N ATOM 582 CA ARG A 37 2.007 -11.416 4.602 1.00 0.00 C ATOM 583 C ARG A 37 1.794 -10.128 5.399 1.00 0.00 C ATOM 584 O ARG A 37 0.657 -9.734 5.657 1.00 0.00 O ATOM 585 CB ARG A 37 2.160 -11.071 3.119 1.00 0.00 C ATOM 586 CG ARG A 37 3.574 -11.387 2.626 1.00 0.00 C ATOM 587 CD ARG A 37 3.634 -12.778 1.990 1.00 0.00 C ATOM 588 NE ARG A 37 5.042 -13.211 1.854 1.00 0.00 N ATOM 589 CZ ARG A 37 5.418 -14.402 1.367 1.00 0.00 C ATOM 590 NH1 ARG A 37 4.493 -15.284 0.966 1.00 0.00 N ATOM 591 NH2 ARG A 37 6.719 -14.710 1.280 1.00 0.00 N ATOM 0 H ARG A 37 0.008 -11.879 5.032 1.00 0.00 H new ATOM 0 HA ARG A 37 2.915 -11.912 4.944 1.00 0.00 H new ATOM 0 HB2 ARG A 37 1.433 -11.634 2.534 1.00 0.00 H new ATOM 0 HB3 ARG A 37 1.944 -10.014 2.964 1.00 0.00 H new ATOM 0 HG2 ARG A 37 3.886 -10.637 1.899 1.00 0.00 H new ATOM 0 HG3 ARG A 37 4.274 -11.334 3.460 1.00 0.00 H new ATOM 0 HD2 ARG A 37 3.083 -13.491 2.603 1.00 0.00 H new ATOM 0 HD3 ARG A 37 3.154 -12.761 1.012 1.00 0.00 H new ATOM 0 HE ARG A 37 5.772 -12.563 2.149 1.00 0.00 H new ATOM 0 HH11 ARG A 37 3.502 -15.049 1.031 1.00 0.00 H new ATOM 0 HH12 ARG A 37 4.779 -16.190 0.595 1.00 0.00 H new ATOM 0 HH21 ARG A 37 7.424 -14.038 1.584 1.00 0.00 H new ATOM 0 HH22 ARG A 37 7.005 -15.616 0.909 1.00 0.00 H new ATOM 605 N LYS A 38 2.905 -9.507 5.767 1.00 0.00 N ATOM 606 CA LYS A 38 2.854 -8.271 6.530 1.00 0.00 C ATOM 607 C LYS A 38 2.737 -7.087 5.567 1.00 0.00 C ATOM 608 O LYS A 38 3.494 -6.989 4.603 1.00 0.00 O ATOM 609 CB LYS A 38 4.051 -8.177 7.478 1.00 0.00 C ATOM 610 CG LYS A 38 4.025 -6.864 8.264 1.00 0.00 C ATOM 611 CD LYS A 38 4.415 -7.093 9.726 1.00 0.00 C ATOM 612 CE LYS A 38 4.846 -5.784 10.390 1.00 0.00 C ATOM 613 NZ LYS A 38 6.090 -5.982 11.166 1.00 0.00 N ATOM 0 H LYS A 38 3.846 -9.836 5.551 1.00 0.00 H new ATOM 0 HA LYS A 38 1.970 -8.253 7.167 1.00 0.00 H new ATOM 0 HB2 LYS A 38 4.039 -9.019 8.170 1.00 0.00 H new ATOM 0 HB3 LYS A 38 4.977 -8.246 6.908 1.00 0.00 H new ATOM 0 HG2 LYS A 38 4.711 -6.150 7.808 1.00 0.00 H new ATOM 0 HG3 LYS A 38 3.028 -6.426 8.214 1.00 0.00 H new ATOM 0 HD2 LYS A 38 3.571 -7.520 10.269 1.00 0.00 H new ATOM 0 HD3 LYS A 38 5.228 -7.817 9.780 1.00 0.00 H new ATOM 0 HE2 LYS A 38 5.002 -5.018 9.630 1.00 0.00 H new ATOM 0 HE3 LYS A 38 4.054 -5.424 11.047 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 6.369 -5.084 11.610 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 5.929 -6.698 11.903 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 6.848 -6.304 10.531 1.00 0.00 H new ATOM 627 N PHE A 39 1.782 -6.217 5.863 1.00 0.00 N ATOM 628 CA PHE A 39 1.556 -5.044 5.036 1.00 0.00 C ATOM 629 C PHE A 39 1.528 -3.772 5.885 1.00 0.00 C ATOM 630 O PHE A 39 0.683 -3.628 6.767 1.00 0.00 O ATOM 631 CB PHE A 39 0.193 -5.225 4.365 1.00 0.00 C ATOM 632 CG PHE A 39 0.257 -5.924 3.005 1.00 0.00 C ATOM 633 CD1 PHE A 39 0.218 -7.281 2.935 1.00 0.00 C ATOM 634 CD2 PHE A 39 0.352 -5.187 1.866 1.00 0.00 C ATOM 635 CE1 PHE A 39 0.277 -7.929 1.673 1.00 0.00 C ATOM 636 CE2 PHE A 39 0.411 -5.835 0.604 1.00 0.00 C ATOM 637 CZ PHE A 39 0.373 -7.192 0.534 1.00 0.00 C ATOM 0 H PHE A 39 1.156 -6.301 6.664 1.00 0.00 H new ATOM 0 HA PHE A 39 2.359 -4.944 4.306 1.00 0.00 H new ATOM 0 HB2 PHE A 39 -0.453 -5.800 5.028 1.00 0.00 H new ATOM 0 HB3 PHE A 39 -0.271 -4.247 4.238 1.00 0.00 H new ATOM 0 HD1 PHE A 39 0.142 -7.866 3.839 1.00 0.00 H new ATOM 0 HD2 PHE A 39 0.383 -4.109 1.921 1.00 0.00 H new ATOM 0 HE1 PHE A 39 0.246 -9.007 1.618 1.00 0.00 H new ATOM 0 HE2 PHE A 39 0.486 -5.250 -0.300 1.00 0.00 H new ATOM 0 HZ PHE A 39 0.419 -7.685 -0.426 1.00 0.00 H new ATOM 647 N ILE A 40 2.462 -2.880 5.590 1.00 0.00 N ATOM 648 CA ILE A 40 2.555 -1.625 6.315 1.00 0.00 C ATOM 649 C ILE A 40 2.204 -0.470 5.375 1.00 0.00 C ATOM 650 O ILE A 40 2.756 -0.367 4.280 1.00 0.00 O ATOM 651 CB ILE A 40 3.930 -1.486 6.972 1.00 0.00 C ATOM 652 CG1 ILE A 40 4.172 -2.612 7.981 1.00 0.00 C ATOM 653 CG2 ILE A 40 4.098 -0.104 7.606 1.00 0.00 C ATOM 654 CD1 ILE A 40 5.662 -2.938 8.091 1.00 0.00 C ATOM 0 H ILE A 40 3.162 -3.002 4.858 1.00 0.00 H new ATOM 0 HA ILE A 40 1.833 -1.603 7.131 1.00 0.00 H new ATOM 0 HB ILE A 40 4.690 -1.579 6.196 1.00 0.00 H new ATOM 0 HG12 ILE A 40 3.787 -2.319 8.958 1.00 0.00 H new ATOM 0 HG13 ILE A 40 3.623 -3.503 7.676 1.00 0.00 H new ATOM 0 HG21 ILE A 40 5.084 -0.032 8.066 1.00 0.00 H new ATOM 0 HG22 ILE A 40 3.999 0.663 6.838 1.00 0.00 H new ATOM 0 HG23 ILE A 40 3.331 0.043 8.367 1.00 0.00 H new ATOM 0 HD11 ILE A 40 5.806 -3.741 8.814 1.00 0.00 H new ATOM 0 HD12 ILE A 40 6.038 -3.254 7.118 1.00 0.00 H new ATOM 0 HD13 ILE A 40 6.205 -2.052 8.420 1.00 0.00 H new ATOM 666 N LEU A 41 1.289 0.369 5.836 1.00 0.00 N ATOM 667 CA LEU A 41 0.858 1.512 5.050 1.00 0.00 C ATOM 668 C LEU A 41 1.406 2.795 5.679 1.00 0.00 C ATOM 669 O LEU A 41 1.404 2.941 6.900 1.00 0.00 O ATOM 670 CB LEU A 41 -0.664 1.508 4.888 1.00 0.00 C ATOM 671 CG LEU A 41 -1.277 2.772 4.281 1.00 0.00 C ATOM 672 CD1 LEU A 41 -1.043 2.823 2.770 1.00 0.00 C ATOM 673 CD2 LEU A 41 -2.761 2.885 4.634 1.00 0.00 C ATOM 0 H LEU A 41 0.834 0.280 6.744 1.00 0.00 H new ATOM 0 HA LEU A 41 1.263 1.454 4.040 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -0.941 0.658 4.264 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -1.113 1.344 5.867 1.00 0.00 H new ATOM 0 HG LEU A 41 -0.775 3.637 4.715 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -1.488 3.731 2.363 1.00 0.00 H new ATOM 0 HD12 LEU A 41 0.028 2.822 2.567 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -1.502 1.952 2.301 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -3.172 3.792 4.191 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -3.294 2.017 4.246 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -2.875 2.927 5.717 1.00 0.00 H new ATOM 685 N ARG A 42 1.862 3.691 4.817 1.00 0.00 N ATOM 686 CA ARG A 42 2.412 4.956 5.273 1.00 0.00 C ATOM 687 C ARG A 42 2.009 6.084 4.321 1.00 0.00 C ATOM 688 O ARG A 42 2.228 5.991 3.114 1.00 0.00 O ATOM 689 CB ARG A 42 3.938 4.894 5.361 1.00 0.00 C ATOM 690 CG ARG A 42 4.534 4.258 4.104 1.00 0.00 C ATOM 691 CD ARG A 42 6.022 3.956 4.295 1.00 0.00 C ATOM 692 NE ARG A 42 6.202 2.553 4.730 1.00 0.00 N ATOM 693 CZ ARG A 42 7.327 2.075 5.279 1.00 0.00 C ATOM 694 NH1 ARG A 42 8.379 2.885 5.464 1.00 0.00 N ATOM 695 NH2 ARG A 42 7.400 0.788 5.644 1.00 0.00 N ATOM 0 H ARG A 42 1.862 3.566 3.805 1.00 0.00 H new ATOM 0 HA ARG A 42 2.010 5.153 6.267 1.00 0.00 H new ATOM 0 HB2 ARG A 42 4.340 5.899 5.490 1.00 0.00 H new ATOM 0 HB3 ARG A 42 4.232 4.318 6.239 1.00 0.00 H new ATOM 0 HG2 ARG A 42 4.000 3.337 3.870 1.00 0.00 H new ATOM 0 HG3 ARG A 42 4.401 4.929 3.255 1.00 0.00 H new ATOM 0 HD2 ARG A 42 6.559 4.128 3.362 1.00 0.00 H new ATOM 0 HD3 ARG A 42 6.447 4.633 5.037 1.00 0.00 H new ATOM 0 HE ARG A 42 5.421 1.909 4.604 1.00 0.00 H new ATOM 0 HH11 ARG A 42 8.323 3.865 5.187 1.00 0.00 H new ATOM 0 HH12 ARG A 42 9.235 2.521 5.882 1.00 0.00 H new ATOM 0 HH21 ARG A 42 6.599 0.172 5.504 1.00 0.00 H new ATOM 0 HH22 ARG A 42 8.256 0.424 6.062 1.00 0.00 H new ATOM 709 N GLU A 43 1.427 7.124 4.900 1.00 0.00 N ATOM 710 CA GLU A 43 0.991 8.269 4.118 1.00 0.00 C ATOM 711 C GLU A 43 2.010 9.405 4.227 1.00 0.00 C ATOM 712 O GLU A 43 2.560 9.649 5.300 1.00 0.00 O ATOM 713 CB GLU A 43 -0.399 8.735 4.555 1.00 0.00 C ATOM 714 CG GLU A 43 -0.384 9.217 6.007 1.00 0.00 C ATOM 715 CD GLU A 43 -0.979 10.622 6.124 1.00 0.00 C ATOM 716 OE1 GLU A 43 -2.044 10.840 5.508 1.00 0.00 O ATOM 717 OE2 GLU A 43 -0.355 11.446 6.828 1.00 0.00 O ATOM 0 H GLU A 43 1.247 7.198 5.901 1.00 0.00 H new ATOM 0 HA GLU A 43 0.924 7.966 3.073 1.00 0.00 H new ATOM 0 HB2 GLU A 43 -0.738 9.541 3.904 1.00 0.00 H new ATOM 0 HB3 GLU A 43 -1.111 7.917 4.447 1.00 0.00 H new ATOM 0 HG2 GLU A 43 -0.951 8.525 6.630 1.00 0.00 H new ATOM 0 HG3 GLU A 43 0.639 9.219 6.383 1.00 0.00 H new ATOM 724 N ASP A 44 2.231 10.070 3.103 1.00 0.00 N ATOM 725 CA ASP A 44 3.174 11.175 3.059 1.00 0.00 C ATOM 726 C ASP A 44 4.554 10.679 3.494 1.00 0.00 C ATOM 727 O ASP A 44 4.981 10.929 4.620 1.00 0.00 O ATOM 728 CB ASP A 44 2.752 12.296 4.011 1.00 0.00 C ATOM 729 CG ASP A 44 3.263 13.689 3.635 1.00 0.00 C ATOM 730 OD1 ASP A 44 3.494 13.901 2.425 1.00 0.00 O ATOM 731 OD2 ASP A 44 3.411 14.509 4.567 1.00 0.00 O ATOM 0 H ASP A 44 1.773 9.865 2.215 1.00 0.00 H new ATOM 0 HA ASP A 44 3.198 11.558 2.039 1.00 0.00 H new ATOM 0 HB2 ASP A 44 1.663 12.324 4.055 1.00 0.00 H new ATOM 0 HB3 ASP A 44 3.106 12.054 5.013 1.00 0.00 H new ATOM 736 N PRO A 45 5.231 9.966 2.555 1.00 0.00 N ATOM 737 CA PRO A 45 4.653 9.715 1.246 1.00 0.00 C ATOM 738 C PRO A 45 3.564 8.643 1.324 1.00 0.00 C ATOM 739 O PRO A 45 3.458 7.932 2.322 1.00 0.00 O ATOM 740 CB PRO A 45 5.826 9.307 0.370 1.00 0.00 C ATOM 741 CG PRO A 45 6.936 8.895 1.324 1.00 0.00 C ATOM 742 CD PRO A 45 6.560 9.382 2.713 1.00 0.00 C ATOM 0 HA PRO A 45 4.150 10.590 0.833 1.00 0.00 H new ATOM 0 HB2 PRO A 45 5.553 8.484 -0.290 1.00 0.00 H new ATOM 0 HB3 PRO A 45 6.144 10.133 -0.266 1.00 0.00 H new ATOM 0 HG2 PRO A 45 7.061 7.812 1.320 1.00 0.00 H new ATOM 0 HG3 PRO A 45 7.887 9.327 1.012 1.00 0.00 H new ATOM 0 HD2 PRO A 45 6.549 8.562 3.431 1.00 0.00 H new ATOM 0 HD3 PRO A 45 7.275 10.118 3.081 1.00 0.00 H new ATOM 750 N ALA A 46 2.782 8.561 0.257 1.00 0.00 N ATOM 751 CA ALA A 46 1.705 7.588 0.193 1.00 0.00 C ATOM 752 C ALA A 46 2.220 6.306 -0.466 1.00 0.00 C ATOM 753 O ALA A 46 2.311 6.226 -1.690 1.00 0.00 O ATOM 754 CB ALA A 46 0.516 8.191 -0.558 1.00 0.00 C ATOM 0 H ALA A 46 2.873 9.152 -0.569 1.00 0.00 H new ATOM 0 HA ALA A 46 1.362 7.330 1.195 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -0.292 7.461 -0.606 1.00 0.00 H new ATOM 0 HB2 ALA A 46 0.169 9.082 -0.035 1.00 0.00 H new ATOM 0 HB3 ALA A 46 0.823 8.460 -1.569 1.00 0.00 H new ATOM 760 N TYR A 47 2.543 5.335 0.376 1.00 0.00 N ATOM 761 CA TYR A 47 3.047 4.062 -0.109 1.00 0.00 C ATOM 762 C TYR A 47 2.646 2.921 0.829 1.00 0.00 C ATOM 763 O TYR A 47 2.267 3.159 1.975 1.00 0.00 O ATOM 764 CB TYR A 47 4.572 4.187 -0.118 1.00 0.00 C ATOM 765 CG TYR A 47 5.146 4.698 -1.441 1.00 0.00 C ATOM 766 CD1 TYR A 47 4.898 4.011 -2.612 1.00 0.00 C ATOM 767 CD2 TYR A 47 5.912 5.846 -1.463 1.00 0.00 C ATOM 768 CE1 TYR A 47 5.439 4.492 -3.857 1.00 0.00 C ATOM 769 CE2 TYR A 47 6.452 6.326 -2.708 1.00 0.00 C ATOM 770 CZ TYR A 47 6.189 5.626 -3.843 1.00 0.00 C ATOM 771 OH TYR A 47 6.700 6.080 -5.019 1.00 0.00 O ATOM 0 H TYR A 47 2.465 5.405 1.391 1.00 0.00 H new ATOM 0 HA TYR A 47 2.641 3.839 -1.096 1.00 0.00 H new ATOM 0 HB2 TYR A 47 4.876 4.861 0.683 1.00 0.00 H new ATOM 0 HB3 TYR A 47 5.008 3.213 0.103 1.00 0.00 H new ATOM 0 HD1 TYR A 47 4.298 3.113 -2.595 1.00 0.00 H new ATOM 0 HD2 TYR A 47 6.106 6.384 -0.547 1.00 0.00 H new ATOM 0 HE1 TYR A 47 5.253 3.964 -4.781 1.00 0.00 H new ATOM 0 HE2 TYR A 47 7.053 7.223 -2.740 1.00 0.00 H new ATOM 0 HH TYR A 47 7.213 6.899 -4.858 1.00 0.00 H new ATOM 781 N LEU A 48 2.744 1.707 0.308 1.00 0.00 N ATOM 782 CA LEU A 48 2.397 0.529 1.085 1.00 0.00 C ATOM 783 C LEU A 48 3.525 -0.499 0.976 1.00 0.00 C ATOM 784 O LEU A 48 3.737 -1.084 -0.085 1.00 0.00 O ATOM 785 CB LEU A 48 1.030 -0.011 0.657 1.00 0.00 C ATOM 786 CG LEU A 48 0.706 -1.440 1.098 1.00 0.00 C ATOM 787 CD1 LEU A 48 1.453 -2.461 0.237 1.00 0.00 C ATOM 788 CD2 LEU A 48 0.989 -1.632 2.589 1.00 0.00 C ATOM 0 H LEU A 48 3.059 1.513 -0.643 1.00 0.00 H new ATOM 0 HA LEU A 48 2.298 0.784 2.140 1.00 0.00 H new ATOM 0 HB2 LEU A 48 0.260 0.653 1.050 1.00 0.00 H new ATOM 0 HB3 LEU A 48 0.967 0.036 -0.430 1.00 0.00 H new ATOM 0 HG LEU A 48 -0.360 -1.610 0.949 1.00 0.00 H new ATOM 0 HD11 LEU A 48 1.206 -3.469 0.571 1.00 0.00 H new ATOM 0 HD12 LEU A 48 1.159 -2.342 -0.806 1.00 0.00 H new ATOM 0 HD13 LEU A 48 2.527 -2.301 0.332 1.00 0.00 H new ATOM 0 HD21 LEU A 48 0.750 -2.656 2.876 1.00 0.00 H new ATOM 0 HD22 LEU A 48 2.043 -1.436 2.788 1.00 0.00 H new ATOM 0 HD23 LEU A 48 0.376 -0.941 3.168 1.00 0.00 H new ATOM 800 N HIS A 49 4.220 -0.687 2.089 1.00 0.00 N ATOM 801 CA HIS A 49 5.321 -1.634 2.132 1.00 0.00 C ATOM 802 C HIS A 49 4.868 -2.917 2.831 1.00 0.00 C ATOM 803 O HIS A 49 4.365 -2.873 3.952 1.00 0.00 O ATOM 804 CB HIS A 49 6.553 -1.005 2.788 1.00 0.00 C ATOM 805 CG HIS A 49 7.214 0.065 1.953 1.00 0.00 C ATOM 806 ND1 HIS A 49 6.998 1.417 2.159 1.00 0.00 N ATOM 807 CD2 HIS A 49 8.088 -0.031 0.910 1.00 0.00 C ATOM 808 CE1 HIS A 49 7.714 2.094 1.274 1.00 0.00 C ATOM 809 NE2 HIS A 49 8.388 1.196 0.500 1.00 0.00 N ATOM 0 H HIS A 49 4.042 -0.200 2.967 1.00 0.00 H new ATOM 0 HA HIS A 49 5.617 -1.900 1.117 1.00 0.00 H new ATOM 0 HB2 HIS A 49 6.262 -0.575 3.747 1.00 0.00 H new ATOM 0 HB3 HIS A 49 7.281 -1.789 2.998 1.00 0.00 H new ATOM 0 HD2 HIS A 49 8.471 -0.949 0.489 1.00 0.00 H new ATOM 0 HE1 HIS A 49 7.757 3.169 1.181 1.00 0.00 H new ATOM 0 HE2 HIS A 49 9.019 1.428 -0.267 1.00 0.00 H new ATOM 817 N TYR A 50 5.061 -4.030 2.138 1.00 0.00 N ATOM 818 CA TYR A 50 4.678 -5.323 2.678 1.00 0.00 C ATOM 819 C TYR A 50 5.888 -6.255 2.780 1.00 0.00 C ATOM 820 O TYR A 50 6.615 -6.443 1.806 1.00 0.00 O ATOM 821 CB TYR A 50 3.676 -5.915 1.685 1.00 0.00 C ATOM 822 CG TYR A 50 4.213 -6.036 0.257 1.00 0.00 C ATOM 823 CD1 TYR A 50 4.276 -4.921 -0.554 1.00 0.00 C ATOM 824 CD2 TYR A 50 4.634 -7.261 -0.220 1.00 0.00 C ATOM 825 CE1 TYR A 50 4.782 -5.035 -1.897 1.00 0.00 C ATOM 826 CE2 TYR A 50 5.139 -7.375 -1.564 1.00 0.00 C ATOM 827 CZ TYR A 50 5.188 -6.257 -2.336 1.00 0.00 C ATOM 828 OH TYR A 50 5.665 -6.365 -3.605 1.00 0.00 O ATOM 0 H TYR A 50 5.478 -4.063 1.208 1.00 0.00 H new ATOM 0 HA TYR A 50 4.260 -5.212 3.678 1.00 0.00 H new ATOM 0 HB2 TYR A 50 3.375 -6.903 2.034 1.00 0.00 H new ATOM 0 HB3 TYR A 50 2.780 -5.294 1.674 1.00 0.00 H new ATOM 0 HD1 TYR A 50 3.946 -3.963 -0.181 1.00 0.00 H new ATOM 0 HD2 TYR A 50 4.585 -8.134 0.414 1.00 0.00 H new ATOM 0 HE1 TYR A 50 4.838 -4.170 -2.541 1.00 0.00 H new ATOM 0 HE2 TYR A 50 5.471 -8.327 -1.950 1.00 0.00 H new ATOM 0 HH TYR A 50 5.919 -7.295 -3.781 1.00 0.00 H new ATOM 838 N TYR A 51 6.065 -6.814 3.968 1.00 0.00 N ATOM 839 CA TYR A 51 7.174 -7.721 4.210 1.00 0.00 C ATOM 840 C TYR A 51 6.670 -9.134 4.513 1.00 0.00 C ATOM 841 O TYR A 51 5.475 -9.341 4.714 1.00 0.00 O ATOM 842 CB TYR A 51 7.903 -7.178 5.441 1.00 0.00 C ATOM 843 CG TYR A 51 8.137 -5.666 5.408 1.00 0.00 C ATOM 844 CD1 TYR A 51 7.096 -4.801 5.676 1.00 0.00 C ATOM 845 CD2 TYR A 51 9.389 -5.168 5.112 1.00 0.00 C ATOM 846 CE1 TYR A 51 7.316 -3.378 5.645 1.00 0.00 C ATOM 847 CE2 TYR A 51 9.610 -3.745 5.081 1.00 0.00 C ATOM 848 CZ TYR A 51 8.562 -2.921 5.349 1.00 0.00 C ATOM 849 OH TYR A 51 8.770 -1.577 5.320 1.00 0.00 O ATOM 0 H TYR A 51 5.459 -6.656 4.773 1.00 0.00 H new ATOM 0 HA TYR A 51 7.820 -7.780 3.334 1.00 0.00 H new ATOM 0 HB2 TYR A 51 7.326 -7.427 6.332 1.00 0.00 H new ATOM 0 HB3 TYR A 51 8.865 -7.682 5.533 1.00 0.00 H new ATOM 0 HD1 TYR A 51 6.116 -5.191 5.909 1.00 0.00 H new ATOM 0 HD2 TYR A 51 10.204 -5.845 4.903 1.00 0.00 H new ATOM 0 HE1 TYR A 51 6.510 -2.690 5.852 1.00 0.00 H new ATOM 0 HE2 TYR A 51 10.585 -3.342 4.850 1.00 0.00 H new ATOM 0 HH TYR A 51 9.707 -1.396 5.096 1.00 0.00 H new ATOM 859 N ASP A 52 7.608 -10.070 4.535 1.00 0.00 N ATOM 860 CA ASP A 52 7.274 -11.457 4.810 1.00 0.00 C ATOM 861 C ASP A 52 7.122 -11.651 6.320 1.00 0.00 C ATOM 862 O ASP A 52 7.852 -11.047 7.104 1.00 0.00 O ATOM 863 CB ASP A 52 8.379 -12.396 4.322 1.00 0.00 C ATOM 864 CG ASP A 52 8.118 -13.884 4.568 1.00 0.00 C ATOM 865 OD1 ASP A 52 7.426 -14.486 3.719 1.00 0.00 O ATOM 866 OD2 ASP A 52 8.617 -14.385 5.599 1.00 0.00 O ATOM 0 H ASP A 52 8.599 -9.895 4.367 1.00 0.00 H new ATOM 0 HA ASP A 52 6.346 -11.690 4.289 1.00 0.00 H new ATOM 0 HB2 ASP A 52 8.522 -12.239 3.253 1.00 0.00 H new ATOM 0 HB3 ASP A 52 9.313 -12.120 4.813 1.00 0.00 H new ATOM 871 N PRO A 53 6.142 -12.518 6.692 1.00 0.00 N ATOM 872 CA PRO A 53 5.884 -12.799 8.094 1.00 0.00 C ATOM 873 C PRO A 53 6.963 -13.713 8.678 1.00 0.00 C ATOM 874 O PRO A 53 7.421 -13.502 9.800 1.00 0.00 O ATOM 875 CB PRO A 53 4.499 -13.423 8.122 1.00 0.00 C ATOM 876 CG PRO A 53 4.225 -13.893 6.703 1.00 0.00 C ATOM 877 CD PRO A 53 5.258 -13.251 5.791 1.00 0.00 C ATOM 0 HA PRO A 53 5.916 -11.904 8.715 1.00 0.00 H new ATOM 0 HB2 PRO A 53 4.460 -14.256 8.824 1.00 0.00 H new ATOM 0 HB3 PRO A 53 3.751 -12.699 8.445 1.00 0.00 H new ATOM 0 HG2 PRO A 53 4.285 -14.980 6.643 1.00 0.00 H new ATOM 0 HG3 PRO A 53 3.218 -13.612 6.396 1.00 0.00 H new ATOM 0 HD2 PRO A 53 5.806 -14.002 5.223 1.00 0.00 H new ATOM 0 HD3 PRO A 53 4.788 -12.584 5.068 1.00 0.00 H new ATOM 885 N ALA A 54 7.339 -14.710 7.890 1.00 0.00 N ATOM 886 CA ALA A 54 8.355 -15.658 8.314 1.00 0.00 C ATOM 887 C ALA A 54 9.601 -14.894 8.766 1.00 0.00 C ATOM 888 O ALA A 54 10.294 -15.320 9.688 1.00 0.00 O ATOM 889 CB ALA A 54 8.652 -16.634 7.173 1.00 0.00 C ATOM 0 H ALA A 54 6.958 -14.882 6.960 1.00 0.00 H new ATOM 0 HA ALA A 54 8.002 -16.245 9.161 1.00 0.00 H new ATOM 0 HB1 ALA A 54 9.414 -17.345 7.492 1.00 0.00 H new ATOM 0 HB2 ALA A 54 7.742 -17.172 6.908 1.00 0.00 H new ATOM 0 HB3 ALA A 54 9.012 -16.081 6.305 1.00 0.00 H new ATOM 895 N GLY A 55 9.848 -13.778 8.096 1.00 0.00 N ATOM 896 CA GLY A 55 10.998 -12.950 8.417 1.00 0.00 C ATOM 897 C GLY A 55 11.583 -12.310 7.156 1.00 0.00 C ATOM 898 O GLY A 55 11.464 -12.863 6.063 1.00 0.00 O ATOM 0 H GLY A 55 9.271 -13.428 7.332 1.00 0.00 H new ATOM 0 HA2 GLY A 55 10.705 -12.172 9.121 1.00 0.00 H new ATOM 0 HA3 GLY A 55 11.760 -13.555 8.909 1.00 0.00 H new ATOM 902 N ALA A 56 12.201 -11.155 7.350 1.00 0.00 N ATOM 903 CA ALA A 56 12.804 -10.434 6.242 1.00 0.00 C ATOM 904 C ALA A 56 13.387 -9.115 6.754 1.00 0.00 C ATOM 905 O ALA A 56 13.074 -8.683 7.863 1.00 0.00 O ATOM 906 CB ALA A 56 11.761 -10.222 5.142 1.00 0.00 C ATOM 0 H ALA A 56 12.297 -10.700 8.258 1.00 0.00 H new ATOM 0 HA ALA A 56 13.622 -11.010 5.809 1.00 0.00 H new ATOM 0 HB1 ALA A 56 12.214 -9.681 4.311 1.00 0.00 H new ATOM 0 HB2 ALA A 56 11.400 -11.189 4.792 1.00 0.00 H new ATOM 0 HB3 ALA A 56 10.926 -9.645 5.539 1.00 0.00 H new ATOM 912 N GLU A 57 14.223 -8.512 5.922 1.00 0.00 N ATOM 913 CA GLU A 57 14.853 -7.251 6.277 1.00 0.00 C ATOM 914 C GLU A 57 14.296 -6.118 5.413 1.00 0.00 C ATOM 915 O GLU A 57 13.773 -5.135 5.934 1.00 0.00 O ATOM 916 CB GLU A 57 16.374 -7.343 6.148 1.00 0.00 C ATOM 917 CG GLU A 57 16.951 -8.343 7.153 1.00 0.00 C ATOM 918 CD GLU A 57 16.665 -7.902 8.590 1.00 0.00 C ATOM 919 OE1 GLU A 57 16.789 -6.685 8.846 1.00 0.00 O ATOM 920 OE2 GLU A 57 16.330 -8.793 9.401 1.00 0.00 O ATOM 0 H GLU A 57 14.479 -8.873 5.003 1.00 0.00 H new ATOM 0 HA GLU A 57 14.623 -7.033 7.320 1.00 0.00 H new ATOM 0 HB2 GLU A 57 16.639 -7.646 5.135 1.00 0.00 H new ATOM 0 HB3 GLU A 57 16.816 -6.361 6.312 1.00 0.00 H new ATOM 0 HG2 GLU A 57 16.520 -9.329 6.979 1.00 0.00 H new ATOM 0 HG3 GLU A 57 18.027 -8.434 7.004 1.00 0.00 H new ATOM 927 N ASP A 58 14.428 -6.294 4.106 1.00 0.00 N ATOM 928 CA ASP A 58 13.945 -5.299 3.164 1.00 0.00 C ATOM 929 C ASP A 58 12.501 -5.627 2.778 1.00 0.00 C ATOM 930 O ASP A 58 12.074 -6.776 2.878 1.00 0.00 O ATOM 931 CB ASP A 58 14.787 -5.296 1.887 1.00 0.00 C ATOM 932 CG ASP A 58 16.298 -5.204 2.108 1.00 0.00 C ATOM 933 OD1 ASP A 58 16.754 -4.094 2.456 1.00 0.00 O ATOM 934 OD2 ASP A 58 16.963 -6.247 1.923 1.00 0.00 O ATOM 0 H ASP A 58 14.863 -7.111 3.677 1.00 0.00 H new ATOM 0 HA ASP A 58 14.011 -4.322 3.642 1.00 0.00 H new ATOM 0 HB2 ASP A 58 14.572 -6.205 1.326 1.00 0.00 H new ATOM 0 HB3 ASP A 58 14.474 -4.457 1.266 1.00 0.00 H new ATOM 939 N PRO A 59 11.771 -4.569 2.335 1.00 0.00 N ATOM 940 CA PRO A 59 10.384 -4.733 1.934 1.00 0.00 C ATOM 941 C PRO A 59 10.285 -5.417 0.569 1.00 0.00 C ATOM 942 O PRO A 59 10.925 -4.991 -0.391 1.00 0.00 O ATOM 943 CB PRO A 59 9.805 -3.327 1.936 1.00 0.00 C ATOM 944 CG PRO A 59 10.997 -2.385 1.885 1.00 0.00 C ATOM 945 CD PRO A 59 12.244 -3.194 2.204 1.00 0.00 C ATOM 0 HA PRO A 59 9.825 -5.381 2.609 1.00 0.00 H new ATOM 0 HB2 PRO A 59 9.149 -3.174 1.079 1.00 0.00 H new ATOM 0 HB3 PRO A 59 9.207 -3.152 2.830 1.00 0.00 H new ATOM 0 HG2 PRO A 59 11.080 -1.928 0.899 1.00 0.00 H new ATOM 0 HG3 PRO A 59 10.874 -1.574 2.603 1.00 0.00 H new ATOM 0 HD2 PRO A 59 12.987 -3.105 1.412 1.00 0.00 H new ATOM 0 HD3 PRO A 59 12.716 -2.848 3.124 1.00 0.00 H new ATOM 953 N LEU A 60 9.479 -6.468 0.527 1.00 0.00 N ATOM 954 CA LEU A 60 9.288 -7.216 -0.705 1.00 0.00 C ATOM 955 C LEU A 60 9.154 -6.239 -1.874 1.00 0.00 C ATOM 956 O LEU A 60 9.538 -6.555 -2.999 1.00 0.00 O ATOM 957 CB LEU A 60 8.107 -8.178 -0.569 1.00 0.00 C ATOM 958 CG LEU A 60 8.267 -9.296 0.464 1.00 0.00 C ATOM 959 CD1 LEU A 60 6.960 -9.535 1.221 1.00 0.00 C ATOM 960 CD2 LEU A 60 8.792 -10.576 -0.191 1.00 0.00 C ATOM 0 H LEU A 60 8.951 -6.819 1.326 1.00 0.00 H new ATOM 0 HA LEU A 60 10.157 -7.841 -0.910 1.00 0.00 H new ATOM 0 HB2 LEU A 60 7.220 -7.599 -0.313 1.00 0.00 H new ATOM 0 HB3 LEU A 60 7.921 -8.633 -1.542 1.00 0.00 H new ATOM 0 HG LEU A 60 9.010 -8.980 1.197 1.00 0.00 H new ATOM 0 HD11 LEU A 60 7.102 -10.334 1.948 1.00 0.00 H new ATOM 0 HD12 LEU A 60 6.667 -8.621 1.738 1.00 0.00 H new ATOM 0 HD13 LEU A 60 6.178 -9.820 0.517 1.00 0.00 H new ATOM 0 HD21 LEU A 60 8.897 -11.355 0.564 1.00 0.00 H new ATOM 0 HD22 LEU A 60 8.091 -10.906 -0.958 1.00 0.00 H new ATOM 0 HD23 LEU A 60 9.762 -10.380 -0.647 1.00 0.00 H new ATOM 972 N GLY A 61 8.607 -5.071 -1.569 1.00 0.00 N ATOM 973 CA GLY A 61 8.418 -4.046 -2.580 1.00 0.00 C ATOM 974 C GLY A 61 7.557 -2.899 -2.045 1.00 0.00 C ATOM 975 O GLY A 61 7.324 -2.803 -0.841 1.00 0.00 O ATOM 0 H GLY A 61 8.289 -4.812 -0.635 1.00 0.00 H new ATOM 0 HA2 GLY A 61 9.387 -3.661 -2.898 1.00 0.00 H new ATOM 0 HA3 GLY A 61 7.944 -4.481 -3.460 1.00 0.00 H new ATOM 979 N ALA A 62 7.107 -2.060 -2.966 1.00 0.00 N ATOM 980 CA ALA A 62 6.277 -0.924 -2.602 1.00 0.00 C ATOM 981 C ALA A 62 5.096 -0.830 -3.570 1.00 0.00 C ATOM 982 O ALA A 62 5.206 -1.224 -4.730 1.00 0.00 O ATOM 983 CB ALA A 62 7.127 0.348 -2.594 1.00 0.00 C ATOM 0 H ALA A 62 7.301 -2.144 -3.964 1.00 0.00 H new ATOM 0 HA ALA A 62 5.871 -1.051 -1.598 1.00 0.00 H new ATOM 0 HB1 ALA A 62 6.504 1.200 -2.321 1.00 0.00 H new ATOM 0 HB2 ALA A 62 7.934 0.242 -1.869 1.00 0.00 H new ATOM 0 HB3 ALA A 62 7.549 0.510 -3.586 1.00 0.00 H new ATOM 989 N ILE A 63 3.992 -0.305 -3.057 1.00 0.00 N ATOM 990 CA ILE A 63 2.792 -0.154 -3.862 1.00 0.00 C ATOM 991 C ILE A 63 2.430 1.329 -3.958 1.00 0.00 C ATOM 992 O ILE A 63 1.981 1.927 -2.981 1.00 0.00 O ATOM 993 CB ILE A 63 1.664 -1.028 -3.310 1.00 0.00 C ATOM 994 CG1 ILE A 63 2.047 -2.509 -3.350 1.00 0.00 C ATOM 995 CG2 ILE A 63 0.350 -0.756 -4.045 1.00 0.00 C ATOM 996 CD1 ILE A 63 1.067 -3.351 -2.530 1.00 0.00 C ATOM 0 H ILE A 63 3.904 0.021 -2.094 1.00 0.00 H new ATOM 0 HA ILE A 63 2.969 -0.505 -4.879 1.00 0.00 H new ATOM 0 HB ILE A 63 1.509 -0.764 -2.264 1.00 0.00 H new ATOM 0 HG12 ILE A 63 2.056 -2.858 -4.383 1.00 0.00 H new ATOM 0 HG13 ILE A 63 3.057 -2.638 -2.961 1.00 0.00 H new ATOM 0 HG21 ILE A 63 -0.435 -1.390 -3.633 1.00 0.00 H new ATOM 0 HG22 ILE A 63 0.073 0.291 -3.921 1.00 0.00 H new ATOM 0 HG23 ILE A 63 0.474 -0.975 -5.106 1.00 0.00 H new ATOM 0 HD11 ILE A 63 1.362 -4.399 -2.575 1.00 0.00 H new ATOM 0 HD12 ILE A 63 1.078 -3.015 -1.493 1.00 0.00 H new ATOM 0 HD13 ILE A 63 0.062 -3.239 -2.937 1.00 0.00 H new ATOM 1008 N HIS A 64 2.640 1.881 -5.144 1.00 0.00 N ATOM 1009 CA HIS A 64 2.342 3.283 -5.380 1.00 0.00 C ATOM 1010 C HIS A 64 0.909 3.585 -4.938 1.00 0.00 C ATOM 1011 O HIS A 64 -0.034 2.935 -5.388 1.00 0.00 O ATOM 1012 CB HIS A 64 2.602 3.656 -6.841 1.00 0.00 C ATOM 1013 CG HIS A 64 2.942 5.111 -7.053 1.00 0.00 C ATOM 1014 ND1 HIS A 64 2.165 5.959 -7.822 1.00 0.00 N ATOM 1015 CD2 HIS A 64 3.983 5.860 -6.587 1.00 0.00 C ATOM 1016 CE1 HIS A 64 2.722 7.161 -7.814 1.00 0.00 C ATOM 1017 NE2 HIS A 64 3.849 7.098 -7.048 1.00 0.00 N ATOM 0 H HIS A 64 3.013 1.382 -5.952 1.00 0.00 H new ATOM 0 HA HIS A 64 3.009 3.905 -4.783 1.00 0.00 H new ATOM 0 HB2 HIS A 64 3.419 3.044 -7.221 1.00 0.00 H new ATOM 0 HB3 HIS A 64 1.719 3.410 -7.430 1.00 0.00 H new ATOM 0 HD2 HIS A 64 4.781 5.506 -5.951 1.00 0.00 H new ATOM 0 HE1 HIS A 64 2.349 8.037 -8.324 1.00 0.00 H new ATOM 0 HE2 HIS A 64 4.484 7.874 -6.860 1.00 0.00 H new ATOM 1025 N LEU A 65 0.789 4.571 -4.061 1.00 0.00 N ATOM 1026 CA LEU A 65 -0.514 4.967 -3.553 1.00 0.00 C ATOM 1027 C LEU A 65 -0.872 6.349 -4.101 1.00 0.00 C ATOM 1028 O LEU A 65 -2.047 6.707 -4.175 1.00 0.00 O ATOM 1029 CB LEU A 65 -0.540 4.886 -2.025 1.00 0.00 C ATOM 1030 CG LEU A 65 -0.324 3.496 -1.423 1.00 0.00 C ATOM 1031 CD1 LEU A 65 -0.313 3.556 0.105 1.00 0.00 C ATOM 1032 CD2 LEU A 65 -1.361 2.503 -1.951 1.00 0.00 C ATOM 0 H LEU A 65 1.573 5.108 -3.689 1.00 0.00 H new ATOM 0 HA LEU A 65 -1.284 4.277 -3.900 1.00 0.00 H new ATOM 0 HB2 LEU A 65 0.227 5.553 -1.633 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -1.501 5.265 -1.677 1.00 0.00 H new ATOM 0 HG LEU A 65 0.656 3.136 -1.737 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -0.158 2.555 0.507 1.00 0.00 H new ATOM 0 HD12 LEU A 65 0.493 4.210 0.438 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -1.267 3.946 0.461 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -1.185 1.523 -1.508 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -2.361 2.847 -1.687 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -1.277 2.431 -3.035 1.00 0.00 H new ATOM 1044 N ARG A 66 0.162 7.090 -4.472 1.00 0.00 N ATOM 1045 CA ARG A 66 -0.029 8.425 -5.012 1.00 0.00 C ATOM 1046 C ARG A 66 -1.251 8.456 -5.932 1.00 0.00 C ATOM 1047 O ARG A 66 -2.213 9.176 -5.669 1.00 0.00 O ATOM 1048 CB ARG A 66 1.203 8.884 -5.796 1.00 0.00 C ATOM 1049 CG ARG A 66 1.342 10.407 -5.756 1.00 0.00 C ATOM 1050 CD ARG A 66 1.308 10.998 -7.167 1.00 0.00 C ATOM 1051 NE ARG A 66 1.684 12.429 -7.126 1.00 0.00 N ATOM 1052 CZ ARG A 66 1.594 13.260 -8.173 1.00 0.00 C ATOM 1053 NH1 ARG A 66 1.139 12.808 -9.349 1.00 0.00 N ATOM 1054 NH2 ARG A 66 1.958 14.543 -8.043 1.00 0.00 N ATOM 0 H ARG A 66 1.135 6.791 -4.409 1.00 0.00 H new ATOM 0 HA ARG A 66 -0.185 9.103 -4.173 1.00 0.00 H new ATOM 0 HB2 ARG A 66 2.097 8.422 -5.378 1.00 0.00 H new ATOM 0 HB3 ARG A 66 1.126 8.549 -6.830 1.00 0.00 H new ATOM 0 HG2 ARG A 66 0.536 10.834 -5.160 1.00 0.00 H new ATOM 0 HG3 ARG A 66 2.278 10.678 -5.267 1.00 0.00 H new ATOM 0 HD2 ARG A 66 1.993 10.452 -7.815 1.00 0.00 H new ATOM 0 HD3 ARG A 66 0.311 10.888 -7.592 1.00 0.00 H new ATOM 0 HE ARG A 66 2.034 12.806 -6.245 1.00 0.00 H new ATOM 0 HH11 ARG A 66 0.861 11.831 -9.447 1.00 0.00 H new ATOM 0 HH12 ARG A 66 1.070 13.440 -10.146 1.00 0.00 H new ATOM 0 HH21 ARG A 66 2.304 14.887 -7.147 1.00 0.00 H new ATOM 0 HH22 ARG A 66 1.890 15.176 -8.840 1.00 0.00 H new ATOM 1068 N GLY A 67 -1.173 7.666 -6.993 1.00 0.00 N ATOM 1069 CA GLY A 67 -2.261 7.593 -7.953 1.00 0.00 C ATOM 1070 C GLY A 67 -2.853 6.183 -8.006 1.00 0.00 C ATOM 1071 O GLY A 67 -2.964 5.593 -9.080 1.00 0.00 O ATOM 0 H GLY A 67 -0.373 7.071 -7.209 1.00 0.00 H new ATOM 0 HA2 GLY A 67 -3.038 8.307 -7.682 1.00 0.00 H new ATOM 0 HA3 GLY A 67 -1.898 7.876 -8.941 1.00 0.00 H new ATOM 1075 N CYS A 68 -3.217 5.684 -6.834 1.00 0.00 N ATOM 1076 CA CYS A 68 -3.794 4.354 -6.734 1.00 0.00 C ATOM 1077 C CYS A 68 -5.316 4.496 -6.660 1.00 0.00 C ATOM 1078 O CYS A 68 -5.837 5.608 -6.590 1.00 0.00 O ATOM 1079 CB CYS A 68 -3.234 3.583 -5.537 1.00 0.00 C ATOM 1080 SG CYS A 68 -3.832 4.328 -3.977 1.00 0.00 S ATOM 0 H CYS A 68 -3.124 6.177 -5.946 1.00 0.00 H new ATOM 0 HA CYS A 68 -3.526 3.771 -7.615 1.00 0.00 H new ATOM 0 HB2 CYS A 68 -3.540 2.538 -5.591 1.00 0.00 H new ATOM 0 HB3 CYS A 68 -2.144 3.597 -5.562 1.00 0.00 H new ATOM 0 HG CYS A 68 -3.094 5.355 -3.676 1.00 0.00 H new ATOM 1086 N VAL A 69 -5.986 3.353 -6.677 1.00 0.00 N ATOM 1087 CA VAL A 69 -7.438 3.335 -6.613 1.00 0.00 C ATOM 1088 C VAL A 69 -7.888 2.222 -5.665 1.00 0.00 C ATOM 1089 O VAL A 69 -7.294 1.146 -5.639 1.00 0.00 O ATOM 1090 CB VAL A 69 -8.022 3.196 -8.020 1.00 0.00 C ATOM 1091 CG1 VAL A 69 -9.549 3.287 -7.990 1.00 0.00 C ATOM 1092 CG2 VAL A 69 -7.428 4.241 -8.966 1.00 0.00 C ATOM 0 H VAL A 69 -5.550 2.433 -6.734 1.00 0.00 H new ATOM 0 HA VAL A 69 -7.815 4.276 -6.211 1.00 0.00 H new ATOM 0 HB VAL A 69 -7.752 2.210 -8.400 1.00 0.00 H new ATOM 0 HG11 VAL A 69 -9.940 3.185 -9.003 1.00 0.00 H new ATOM 0 HG12 VAL A 69 -9.949 2.489 -7.365 1.00 0.00 H new ATOM 0 HG13 VAL A 69 -9.848 4.252 -7.581 1.00 0.00 H new ATOM 0 HG21 VAL A 69 -7.860 4.120 -9.959 1.00 0.00 H new ATOM 0 HG22 VAL A 69 -7.652 5.240 -8.592 1.00 0.00 H new ATOM 0 HG23 VAL A 69 -6.347 4.109 -9.022 1.00 0.00 H new ATOM 1102 N VAL A 70 -8.935 2.520 -4.910 1.00 0.00 N ATOM 1103 CA VAL A 70 -9.473 1.557 -3.963 1.00 0.00 C ATOM 1104 C VAL A 70 -10.819 1.041 -4.475 1.00 0.00 C ATOM 1105 O VAL A 70 -11.640 1.816 -4.963 1.00 0.00 O ATOM 1106 CB VAL A 70 -9.564 2.187 -2.571 1.00 0.00 C ATOM 1107 CG1 VAL A 70 -10.426 1.333 -1.639 1.00 0.00 C ATOM 1108 CG2 VAL A 70 -8.172 2.412 -1.979 1.00 0.00 C ATOM 0 H VAL A 70 -9.425 3.414 -4.934 1.00 0.00 H new ATOM 0 HA VAL A 70 -8.809 0.697 -3.874 1.00 0.00 H new ATOM 0 HB VAL A 70 -10.045 3.160 -2.674 1.00 0.00 H new ATOM 0 HG11 VAL A 70 -10.475 1.802 -0.656 1.00 0.00 H new ATOM 0 HG12 VAL A 70 -11.432 1.247 -2.050 1.00 0.00 H new ATOM 0 HG13 VAL A 70 -9.987 0.340 -1.545 1.00 0.00 H new ATOM 0 HG21 VAL A 70 -8.265 2.861 -0.990 1.00 0.00 H new ATOM 0 HG22 VAL A 70 -7.653 1.457 -1.897 1.00 0.00 H new ATOM 0 HG23 VAL A 70 -7.604 3.079 -2.628 1.00 0.00 H new ATOM 1118 N THR A 71 -11.003 -0.265 -4.347 1.00 0.00 N ATOM 1119 CA THR A 71 -12.236 -0.894 -4.791 1.00 0.00 C ATOM 1120 C THR A 71 -12.435 -2.235 -4.083 1.00 0.00 C ATOM 1121 O THR A 71 -11.498 -2.780 -3.501 1.00 0.00 O ATOM 1122 CB THR A 71 -12.183 -1.013 -6.315 1.00 0.00 C ATOM 1123 OG1 THR A 71 -13.402 -0.416 -6.752 1.00 0.00 O ATOM 1124 CG2 THR A 71 -12.285 -2.462 -6.793 1.00 0.00 C ATOM 0 H THR A 71 -10.319 -0.905 -3.942 1.00 0.00 H new ATOM 0 HA THR A 71 -13.105 -0.291 -4.528 1.00 0.00 H new ATOM 0 HB THR A 71 -11.255 -0.575 -6.681 1.00 0.00 H new ATOM 0 HG1 THR A 71 -13.450 -0.449 -7.730 1.00 0.00 H new ATOM 0 HG21 THR A 71 -12.242 -2.490 -7.882 1.00 0.00 H new ATOM 0 HG22 THR A 71 -11.457 -3.040 -6.383 1.00 0.00 H new ATOM 0 HG23 THR A 71 -13.229 -2.891 -6.456 1.00 0.00 H new ATOM 1132 N SER A 72 -13.662 -2.730 -4.156 1.00 0.00 N ATOM 1133 CA SER A 72 -13.996 -3.998 -3.530 1.00 0.00 C ATOM 1134 C SER A 72 -14.175 -5.078 -4.598 1.00 0.00 C ATOM 1135 O SER A 72 -14.788 -4.834 -5.636 1.00 0.00 O ATOM 1136 CB SER A 72 -15.263 -3.876 -2.681 1.00 0.00 C ATOM 1137 OG SER A 72 -15.816 -2.564 -2.733 1.00 0.00 O ATOM 0 H SER A 72 -14.437 -2.276 -4.639 1.00 0.00 H new ATOM 0 HA SER A 72 -13.175 -4.281 -2.871 1.00 0.00 H new ATOM 0 HB2 SER A 72 -16.004 -4.596 -3.030 1.00 0.00 H new ATOM 0 HB3 SER A 72 -15.032 -4.132 -1.647 1.00 0.00 H new ATOM 0 HG SER A 72 -16.624 -2.527 -2.180 1.00 0.00 H new ATOM 1143 N VAL A 73 -13.629 -6.250 -4.307 1.00 0.00 N ATOM 1144 CA VAL A 73 -13.721 -7.369 -5.230 1.00 0.00 C ATOM 1145 C VAL A 73 -15.183 -7.800 -5.358 1.00 0.00 C ATOM 1146 O VAL A 73 -16.085 -7.087 -4.919 1.00 0.00 O ATOM 1147 CB VAL A 73 -12.801 -8.502 -4.771 1.00 0.00 C ATOM 1148 CG1 VAL A 73 -11.352 -8.024 -4.666 1.00 0.00 C ATOM 1149 CG2 VAL A 73 -13.281 -9.095 -3.444 1.00 0.00 C ATOM 0 H VAL A 73 -13.121 -6.449 -3.445 1.00 0.00 H new ATOM 0 HA VAL A 73 -13.381 -7.075 -6.223 1.00 0.00 H new ATOM 0 HB VAL A 73 -12.839 -9.290 -5.523 1.00 0.00 H new ATOM 0 HG11 VAL A 73 -10.720 -8.849 -4.338 1.00 0.00 H new ATOM 0 HG12 VAL A 73 -11.013 -7.673 -5.641 1.00 0.00 H new ATOM 0 HG13 VAL A 73 -11.289 -7.209 -3.945 1.00 0.00 H new ATOM 0 HG21 VAL A 73 -12.610 -9.898 -3.140 1.00 0.00 H new ATOM 0 HG22 VAL A 73 -13.287 -8.318 -2.679 1.00 0.00 H new ATOM 0 HG23 VAL A 73 -14.289 -9.491 -3.566 1.00 0.00 H new ATOM 1318 N GLU A 85 -12.766 -14.928 2.135 1.00 0.00 N ATOM 1319 CA GLU A 85 -13.447 -14.021 3.043 1.00 0.00 C ATOM 1320 C GLU A 85 -13.630 -12.651 2.386 1.00 0.00 C ATOM 1321 O GLU A 85 -13.897 -12.564 1.188 1.00 0.00 O ATOM 1322 CB GLU A 85 -12.690 -13.898 4.366 1.00 0.00 C ATOM 1323 CG GLU A 85 -12.208 -15.267 4.851 1.00 0.00 C ATOM 1324 CD GLU A 85 -11.902 -15.240 6.350 1.00 0.00 C ATOM 1325 OE1 GLU A 85 -10.802 -14.757 6.696 1.00 0.00 O ATOM 1326 OE2 GLU A 85 -12.774 -15.704 7.116 1.00 0.00 O ATOM 0 HA GLU A 85 -14.432 -14.431 3.264 1.00 0.00 H new ATOM 0 HB2 GLU A 85 -11.837 -13.232 4.240 1.00 0.00 H new ATOM 0 HB3 GLU A 85 -13.337 -13.449 5.119 1.00 0.00 H new ATOM 0 HG2 GLU A 85 -12.970 -16.019 4.645 1.00 0.00 H new ATOM 0 HG3 GLU A 85 -11.315 -15.559 4.299 1.00 0.00 H new ATOM 1333 N ASN A 86 -13.480 -11.616 3.199 1.00 0.00 N ATOM 1334 CA ASN A 86 -13.625 -10.255 2.712 1.00 0.00 C ATOM 1335 C ASN A 86 -12.315 -9.809 2.059 1.00 0.00 C ATOM 1336 O ASN A 86 -11.314 -9.604 2.744 1.00 0.00 O ATOM 1337 CB ASN A 86 -13.933 -9.290 3.859 1.00 0.00 C ATOM 1338 CG ASN A 86 -15.048 -9.838 4.752 1.00 0.00 C ATOM 1339 OD1 ASN A 86 -16.205 -9.910 4.372 1.00 0.00 O ATOM 1340 ND2 ASN A 86 -14.636 -10.221 5.957 1.00 0.00 N ATOM 0 H ASN A 86 -13.259 -11.693 4.192 1.00 0.00 H new ATOM 0 HA ASN A 86 -14.446 -10.239 1.996 1.00 0.00 H new ATOM 0 HB2 ASN A 86 -13.034 -9.127 4.453 1.00 0.00 H new ATOM 0 HB3 ASN A 86 -14.229 -8.322 3.455 1.00 0.00 H new ATOM 0 HD21 ASN A 86 -15.304 -10.602 6.627 1.00 0.00 H new ATOM 0 HD22 ASN A 86 -13.652 -10.133 6.211 1.00 0.00 H new ATOM 1347 N LEU A 87 -12.364 -9.672 0.742 1.00 0.00 N ATOM 1348 CA LEU A 87 -11.194 -9.255 -0.011 1.00 0.00 C ATOM 1349 C LEU A 87 -11.504 -7.947 -0.743 1.00 0.00 C ATOM 1350 O LEU A 87 -12.667 -7.576 -0.892 1.00 0.00 O ATOM 1351 CB LEU A 87 -10.722 -10.379 -0.935 1.00 0.00 C ATOM 1352 CG LEU A 87 -11.480 -11.704 -0.821 1.00 0.00 C ATOM 1353 CD1 LEU A 87 -11.496 -12.443 -2.160 1.00 0.00 C ATOM 1354 CD2 LEU A 87 -10.907 -12.568 0.304 1.00 0.00 C ATOM 0 H LEU A 87 -13.196 -9.843 0.177 1.00 0.00 H new ATOM 0 HA LEU A 87 -10.360 -9.055 0.662 1.00 0.00 H new ATOM 0 HB2 LEU A 87 -10.793 -10.030 -1.965 1.00 0.00 H new ATOM 0 HB3 LEU A 87 -9.667 -10.568 -0.735 1.00 0.00 H new ATOM 0 HG LEU A 87 -12.516 -11.484 -0.562 1.00 0.00 H new ATOM 0 HD11 LEU A 87 -12.041 -13.381 -2.051 1.00 0.00 H new ATOM 0 HD12 LEU A 87 -11.986 -11.824 -2.911 1.00 0.00 H new ATOM 0 HD13 LEU A 87 -10.473 -12.652 -2.473 1.00 0.00 H new ATOM 0 HD21 LEU A 87 -11.463 -13.503 0.364 1.00 0.00 H new ATOM 0 HD22 LEU A 87 -9.858 -12.782 0.100 1.00 0.00 H new ATOM 0 HD23 LEU A 87 -10.991 -12.035 1.251 1.00 0.00 H new ATOM 1366 N PHE A 88 -10.443 -7.285 -1.179 1.00 0.00 N ATOM 1367 CA PHE A 88 -10.586 -6.026 -1.891 1.00 0.00 C ATOM 1368 C PHE A 88 -9.450 -5.833 -2.898 1.00 0.00 C ATOM 1369 O PHE A 88 -8.329 -6.283 -2.667 1.00 0.00 O ATOM 1370 CB PHE A 88 -10.521 -4.911 -0.846 1.00 0.00 C ATOM 1371 CG PHE A 88 -9.335 -5.026 0.114 1.00 0.00 C ATOM 1372 CD1 PHE A 88 -8.115 -4.549 -0.253 1.00 0.00 C ATOM 1373 CD2 PHE A 88 -9.501 -5.604 1.333 1.00 0.00 C ATOM 1374 CE1 PHE A 88 -7.015 -4.656 0.638 1.00 0.00 C ATOM 1375 CE2 PHE A 88 -8.400 -5.711 2.224 1.00 0.00 C ATOM 1376 CZ PHE A 88 -7.180 -5.235 1.857 1.00 0.00 C ATOM 0 H PHE A 88 -9.480 -7.597 -1.053 1.00 0.00 H new ATOM 0 HA PHE A 88 -11.528 -6.014 -2.440 1.00 0.00 H new ATOM 0 HB2 PHE A 88 -10.469 -3.950 -1.358 1.00 0.00 H new ATOM 0 HB3 PHE A 88 -11.445 -4.915 -0.268 1.00 0.00 H new ATOM 0 HD1 PHE A 88 -7.983 -4.089 -1.221 1.00 0.00 H new ATOM 0 HD2 PHE A 88 -10.470 -5.982 1.624 1.00 0.00 H new ATOM 0 HE1 PHE A 88 -6.046 -4.277 0.347 1.00 0.00 H new ATOM 0 HE2 PHE A 88 -8.532 -6.170 3.193 1.00 0.00 H new ATOM 0 HZ PHE A 88 -6.342 -5.317 2.534 1.00 0.00 H new ATOM 1386 N GLU A 89 -9.780 -5.163 -3.992 1.00 0.00 N ATOM 1387 CA GLU A 89 -8.802 -4.905 -5.035 1.00 0.00 C ATOM 1388 C GLU A 89 -8.319 -3.454 -4.962 1.00 0.00 C ATOM 1389 O GLU A 89 -9.125 -2.535 -4.827 1.00 0.00 O ATOM 1390 CB GLU A 89 -9.376 -5.223 -6.417 1.00 0.00 C ATOM 1391 CG GLU A 89 -8.312 -5.058 -7.504 1.00 0.00 C ATOM 1392 CD GLU A 89 -8.657 -5.890 -8.740 1.00 0.00 C ATOM 1393 OE1 GLU A 89 -9.525 -5.427 -9.512 1.00 0.00 O ATOM 1394 OE2 GLU A 89 -8.046 -6.970 -8.886 1.00 0.00 O ATOM 0 H GLU A 89 -10.711 -4.791 -4.179 1.00 0.00 H new ATOM 0 HA GLU A 89 -7.947 -5.561 -4.874 1.00 0.00 H new ATOM 0 HB2 GLU A 89 -9.759 -6.244 -6.430 1.00 0.00 H new ATOM 0 HB3 GLU A 89 -10.219 -4.564 -6.625 1.00 0.00 H new ATOM 0 HG2 GLU A 89 -8.229 -4.007 -7.780 1.00 0.00 H new ATOM 0 HG3 GLU A 89 -7.340 -5.363 -7.116 1.00 0.00 H new ATOM 1401 N ILE A 90 -7.007 -3.295 -5.055 1.00 0.00 N ATOM 1402 CA ILE A 90 -6.408 -1.973 -5.001 1.00 0.00 C ATOM 1403 C ILE A 90 -5.518 -1.771 -6.229 1.00 0.00 C ATOM 1404 O ILE A 90 -4.484 -2.425 -6.365 1.00 0.00 O ATOM 1405 CB ILE A 90 -5.678 -1.768 -3.672 1.00 0.00 C ATOM 1406 CG1 ILE A 90 -6.629 -1.965 -2.489 1.00 0.00 C ATOM 1407 CG2 ILE A 90 -4.986 -0.405 -3.631 1.00 0.00 C ATOM 1408 CD1 ILE A 90 -5.860 -1.989 -1.167 1.00 0.00 C ATOM 0 H ILE A 90 -6.342 -4.060 -5.167 1.00 0.00 H new ATOM 0 HA ILE A 90 -7.180 -1.204 -5.035 1.00 0.00 H new ATOM 0 HB ILE A 90 -4.899 -2.526 -3.589 1.00 0.00 H new ATOM 0 HG12 ILE A 90 -7.365 -1.161 -2.471 1.00 0.00 H new ATOM 0 HG13 ILE A 90 -7.179 -2.898 -2.611 1.00 0.00 H new ATOM 0 HG21 ILE A 90 -4.475 -0.285 -2.676 1.00 0.00 H new ATOM 0 HG22 ILE A 90 -4.260 -0.341 -4.442 1.00 0.00 H new ATOM 0 HG23 ILE A 90 -5.729 0.384 -3.746 1.00 0.00 H new ATOM 0 HD11 ILE A 90 -6.559 -2.130 -0.342 1.00 0.00 H new ATOM 0 HD12 ILE A 90 -5.142 -2.809 -1.179 1.00 0.00 H new ATOM 0 HD13 ILE A 90 -5.331 -1.045 -1.037 1.00 0.00 H new ATOM 1420 N ILE A 91 -5.950 -0.864 -7.092 1.00 0.00 N ATOM 1421 CA ILE A 91 -5.205 -0.568 -8.304 1.00 0.00 C ATOM 1422 C ILE A 91 -4.202 0.552 -8.020 1.00 0.00 C ATOM 1423 O ILE A 91 -4.488 1.464 -7.245 1.00 0.00 O ATOM 1424 CB ILE A 91 -6.161 -0.260 -9.458 1.00 0.00 C ATOM 1425 CG1 ILE A 91 -7.287 -1.293 -9.529 1.00 0.00 C ATOM 1426 CG2 ILE A 91 -5.402 -0.147 -10.782 1.00 0.00 C ATOM 1427 CD1 ILE A 91 -8.654 -0.611 -9.605 1.00 0.00 C ATOM 0 H ILE A 91 -6.807 -0.324 -6.976 1.00 0.00 H new ATOM 0 HA ILE A 91 -4.630 -1.438 -8.621 1.00 0.00 H new ATOM 0 HB ILE A 91 -6.625 0.708 -9.268 1.00 0.00 H new ATOM 0 HG12 ILE A 91 -7.146 -1.930 -10.402 1.00 0.00 H new ATOM 0 HG13 ILE A 91 -7.248 -1.940 -8.652 1.00 0.00 H new ATOM 0 HG21 ILE A 91 -6.104 0.072 -11.586 1.00 0.00 H new ATOM 0 HG22 ILE A 91 -4.667 0.655 -10.713 1.00 0.00 H new ATOM 0 HG23 ILE A 91 -4.893 -1.088 -10.991 1.00 0.00 H new ATOM 0 HD11 ILE A 91 -9.436 -1.368 -9.655 1.00 0.00 H new ATOM 0 HD12 ILE A 91 -8.802 0.006 -8.719 1.00 0.00 H new ATOM 0 HD13 ILE A 91 -8.699 0.016 -10.496 1.00 0.00 H new ATOM 1439 N THR A 92 -3.049 0.447 -8.663 1.00 0.00 N ATOM 1440 CA THR A 92 -2.002 1.440 -8.489 1.00 0.00 C ATOM 1441 C THR A 92 -1.906 2.336 -9.726 1.00 0.00 C ATOM 1442 O THR A 92 -2.679 2.181 -10.671 1.00 0.00 O ATOM 1443 CB THR A 92 -0.700 0.703 -8.170 1.00 0.00 C ATOM 1444 OG1 THR A 92 -0.594 -0.277 -9.199 1.00 0.00 O ATOM 1445 CG2 THR A 92 -0.792 -0.117 -6.882 1.00 0.00 C ATOM 0 H THR A 92 -2.816 -0.310 -9.305 1.00 0.00 H new ATOM 0 HA THR A 92 -2.225 2.109 -7.658 1.00 0.00 H new ATOM 0 HB THR A 92 0.113 1.424 -8.084 1.00 0.00 H new ATOM 0 HG1 THR A 92 0.298 -0.233 -9.602 1.00 0.00 H new ATOM 0 HG21 THR A 92 0.158 -0.620 -6.702 1.00 0.00 H new ATOM 0 HG22 THR A 92 -1.017 0.544 -6.045 1.00 0.00 H new ATOM 0 HG23 THR A 92 -1.583 -0.861 -6.980 1.00 0.00 H new ATOM 1453 N ALA A 93 -0.952 3.253 -9.680 1.00 0.00 N ATOM 1454 CA ALA A 93 -0.745 4.174 -10.785 1.00 0.00 C ATOM 1455 C ALA A 93 -0.211 3.402 -11.993 1.00 0.00 C ATOM 1456 O ALA A 93 -0.131 3.944 -13.095 1.00 0.00 O ATOM 1457 CB ALA A 93 0.199 5.295 -10.346 1.00 0.00 C ATOM 0 H ALA A 93 -0.313 3.379 -8.895 1.00 0.00 H new ATOM 0 HA ALA A 93 -1.686 4.638 -11.080 1.00 0.00 H new ATOM 0 HB1 ALA A 93 0.354 5.986 -11.175 1.00 0.00 H new ATOM 0 HB2 ALA A 93 -0.239 5.831 -9.504 1.00 0.00 H new ATOM 0 HB3 ALA A 93 1.156 4.868 -10.046 1.00 0.00 H new ATOM 1463 N ASP A 94 0.141 2.149 -11.746 1.00 0.00 N ATOM 1464 CA ASP A 94 0.665 1.297 -12.800 1.00 0.00 C ATOM 1465 C ASP A 94 -0.438 0.351 -13.280 1.00 0.00 C ATOM 1466 O ASP A 94 -0.224 -0.444 -14.195 1.00 0.00 O ATOM 1467 CB ASP A 94 1.830 0.446 -12.292 1.00 0.00 C ATOM 1468 CG ASP A 94 3.151 0.647 -13.037 1.00 0.00 C ATOM 1469 OD1 ASP A 94 3.230 0.173 -14.191 1.00 0.00 O ATOM 1470 OD2 ASP A 94 4.052 1.271 -12.436 1.00 0.00 O ATOM 0 H ASP A 94 0.074 1.703 -10.831 1.00 0.00 H new ATOM 0 HA ASP A 94 1.013 1.938 -13.610 1.00 0.00 H new ATOM 0 HB2 ASP A 94 1.988 0.667 -11.236 1.00 0.00 H new ATOM 0 HB3 ASP A 94 1.549 -0.605 -12.359 1.00 0.00 H new ATOM 1475 N GLU A 95 -1.593 0.467 -12.642 1.00 0.00 N ATOM 1476 CA GLU A 95 -2.729 -0.368 -12.993 1.00 0.00 C ATOM 1477 C GLU A 95 -2.605 -1.740 -12.327 1.00 0.00 C ATOM 1478 O GLU A 95 -3.451 -2.610 -12.527 1.00 0.00 O ATOM 1479 CB GLU A 95 -2.861 -0.505 -14.511 1.00 0.00 C ATOM 1480 CG GLU A 95 -2.551 0.820 -15.210 1.00 0.00 C ATOM 1481 CD GLU A 95 -3.319 0.937 -16.528 1.00 0.00 C ATOM 1482 OE1 GLU A 95 -4.465 1.434 -16.476 1.00 0.00 O ATOM 1483 OE2 GLU A 95 -2.742 0.527 -17.559 1.00 0.00 O ATOM 0 H GLU A 95 -1.767 1.127 -11.884 1.00 0.00 H new ATOM 0 HA GLU A 95 -3.636 0.112 -12.625 1.00 0.00 H new ATOM 0 HB2 GLU A 95 -2.181 -1.278 -14.870 1.00 0.00 H new ATOM 0 HB3 GLU A 95 -3.871 -0.826 -14.764 1.00 0.00 H new ATOM 0 HG2 GLU A 95 -2.815 1.651 -14.556 1.00 0.00 H new ATOM 0 HG3 GLU A 95 -1.480 0.893 -15.401 1.00 0.00 H new ATOM 1490 N VAL A 96 -1.543 -1.891 -11.549 1.00 0.00 N ATOM 1491 CA VAL A 96 -1.297 -3.143 -10.853 1.00 0.00 C ATOM 1492 C VAL A 96 -2.443 -3.412 -9.876 1.00 0.00 C ATOM 1493 O VAL A 96 -2.837 -2.528 -9.117 1.00 0.00 O ATOM 1494 CB VAL A 96 0.072 -3.102 -10.171 1.00 0.00 C ATOM 1495 CG1 VAL A 96 0.415 -4.456 -9.547 1.00 0.00 C ATOM 1496 CG2 VAL A 96 1.160 -2.659 -11.152 1.00 0.00 C ATOM 0 H VAL A 96 -0.843 -1.167 -11.385 1.00 0.00 H new ATOM 0 HA VAL A 96 -1.269 -3.973 -11.559 1.00 0.00 H new ATOM 0 HB VAL A 96 0.024 -2.366 -9.368 1.00 0.00 H new ATOM 0 HG11 VAL A 96 1.393 -4.399 -9.069 1.00 0.00 H new ATOM 0 HG12 VAL A 96 -0.338 -4.715 -8.803 1.00 0.00 H new ATOM 0 HG13 VAL A 96 0.435 -5.220 -10.324 1.00 0.00 H new ATOM 0 HG21 VAL A 96 2.123 -2.638 -10.642 1.00 0.00 H new ATOM 0 HG22 VAL A 96 1.206 -3.360 -11.985 1.00 0.00 H new ATOM 0 HG23 VAL A 96 0.927 -1.663 -11.528 1.00 0.00 H new ATOM 1506 N HIS A 97 -2.947 -4.636 -9.928 1.00 0.00 N ATOM 1507 CA HIS A 97 -4.040 -5.033 -9.057 1.00 0.00 C ATOM 1508 C HIS A 97 -3.506 -5.931 -7.939 1.00 0.00 C ATOM 1509 O HIS A 97 -2.575 -6.705 -8.152 1.00 0.00 O ATOM 1510 CB HIS A 97 -5.164 -5.691 -9.861 1.00 0.00 C ATOM 1511 CG HIS A 97 -5.571 -4.920 -11.093 1.00 0.00 C ATOM 1512 ND1 HIS A 97 -6.801 -4.296 -11.215 1.00 0.00 N ATOM 1513 CD2 HIS A 97 -4.899 -4.677 -12.255 1.00 0.00 C ATOM 1514 CE1 HIS A 97 -6.856 -3.708 -12.401 1.00 0.00 C ATOM 1515 NE2 HIS A 97 -5.677 -3.945 -13.044 1.00 0.00 N ATOM 0 H HIS A 97 -2.619 -5.366 -10.560 1.00 0.00 H new ATOM 0 HA HIS A 97 -4.476 -4.150 -8.589 1.00 0.00 H new ATOM 0 HB2 HIS A 97 -4.847 -6.690 -10.159 1.00 0.00 H new ATOM 0 HB3 HIS A 97 -6.035 -5.812 -9.217 1.00 0.00 H new ATOM 0 HD2 HIS A 97 -3.903 -5.021 -12.493 1.00 0.00 H new ATOM 0 HE1 HIS A 97 -7.688 -3.141 -12.790 1.00 0.00 H new ATOM 0 HE2 HIS A 97 -5.433 -3.614 -13.978 1.00 0.00 H new ATOM 1523 N TYR A 98 -4.120 -5.797 -6.772 1.00 0.00 N ATOM 1524 CA TYR A 98 -3.718 -6.586 -5.621 1.00 0.00 C ATOM 1525 C TYR A 98 -4.936 -7.030 -4.808 1.00 0.00 C ATOM 1526 O TYR A 98 -5.788 -6.212 -4.463 1.00 0.00 O ATOM 1527 CB TYR A 98 -2.853 -5.664 -4.759 1.00 0.00 C ATOM 1528 CG TYR A 98 -1.464 -5.391 -5.340 1.00 0.00 C ATOM 1529 CD1 TYR A 98 -0.633 -6.445 -5.665 1.00 0.00 C ATOM 1530 CD2 TYR A 98 -1.042 -4.093 -5.538 1.00 0.00 C ATOM 1531 CE1 TYR A 98 0.674 -6.188 -6.212 1.00 0.00 C ATOM 1532 CE2 TYR A 98 0.265 -3.836 -6.085 1.00 0.00 C ATOM 1533 CZ TYR A 98 1.059 -4.897 -6.395 1.00 0.00 C ATOM 1534 OH TYR A 98 2.293 -4.654 -6.911 1.00 0.00 O ATOM 0 H TYR A 98 -4.893 -5.154 -6.600 1.00 0.00 H new ATOM 0 HA TYR A 98 -3.186 -7.483 -5.938 1.00 0.00 H new ATOM 0 HB2 TYR A 98 -3.373 -4.715 -4.626 1.00 0.00 H new ATOM 0 HB3 TYR A 98 -2.741 -6.108 -3.770 1.00 0.00 H new ATOM 0 HD1 TYR A 98 -0.963 -7.461 -5.509 1.00 0.00 H new ATOM 0 HD2 TYR A 98 -1.692 -3.269 -5.283 1.00 0.00 H new ATOM 0 HE1 TYR A 98 1.334 -7.003 -6.471 1.00 0.00 H new ATOM 0 HE2 TYR A 98 0.607 -2.824 -6.246 1.00 0.00 H new ATOM 0 HH TYR A 98 2.431 -3.687 -6.987 1.00 0.00 H new ATOM 1544 N PHE A 99 -4.980 -8.323 -4.526 1.00 0.00 N ATOM 1545 CA PHE A 99 -6.079 -8.886 -3.760 1.00 0.00 C ATOM 1546 C PHE A 99 -5.632 -9.248 -2.343 1.00 0.00 C ATOM 1547 O PHE A 99 -4.915 -10.228 -2.145 1.00 0.00 O ATOM 1548 CB PHE A 99 -6.523 -10.159 -4.483 1.00 0.00 C ATOM 1549 CG PHE A 99 -6.913 -9.940 -5.946 1.00 0.00 C ATOM 1550 CD1 PHE A 99 -8.178 -9.552 -6.261 1.00 0.00 C ATOM 1551 CD2 PHE A 99 -5.996 -10.133 -6.931 1.00 0.00 C ATOM 1552 CE1 PHE A 99 -8.541 -9.349 -7.619 1.00 0.00 C ATOM 1553 CE2 PHE A 99 -6.359 -9.930 -8.289 1.00 0.00 C ATOM 1554 CZ PHE A 99 -7.623 -9.542 -8.604 1.00 0.00 C ATOM 0 H PHE A 99 -4.272 -8.998 -4.814 1.00 0.00 H new ATOM 0 HA PHE A 99 -6.888 -8.159 -3.682 1.00 0.00 H new ATOM 0 HB2 PHE A 99 -5.716 -10.890 -4.438 1.00 0.00 H new ATOM 0 HB3 PHE A 99 -7.372 -10.589 -3.952 1.00 0.00 H new ATOM 0 HD1 PHE A 99 -8.906 -9.398 -5.479 1.00 0.00 H new ATOM 0 HD2 PHE A 99 -4.991 -10.441 -6.681 1.00 0.00 H new ATOM 0 HE1 PHE A 99 -9.546 -9.042 -7.869 1.00 0.00 H new ATOM 0 HE2 PHE A 99 -5.631 -10.084 -9.071 1.00 0.00 H new ATOM 0 HZ PHE A 99 -7.899 -9.387 -9.637 1.00 0.00 H new ATOM 1564 N LEU A 100 -6.072 -8.437 -1.392 1.00 0.00 N ATOM 1565 CA LEU A 100 -5.726 -8.659 0.001 1.00 0.00 C ATOM 1566 C LEU A 100 -6.987 -9.034 0.783 1.00 0.00 C ATOM 1567 O LEU A 100 -8.006 -8.352 0.686 1.00 0.00 O ATOM 1568 CB LEU A 100 -4.987 -7.446 0.570 1.00 0.00 C ATOM 1569 CG LEU A 100 -3.824 -6.915 -0.269 1.00 0.00 C ATOM 1570 CD1 LEU A 100 -2.926 -8.058 -0.747 1.00 0.00 C ATOM 1571 CD2 LEU A 100 -4.332 -6.061 -1.432 1.00 0.00 C ATOM 0 H LEU A 100 -6.666 -7.625 -1.559 1.00 0.00 H new ATOM 0 HA LEU A 100 -5.034 -9.496 0.092 1.00 0.00 H new ATOM 0 HB2 LEU A 100 -5.707 -6.639 0.709 1.00 0.00 H new ATOM 0 HB3 LEU A 100 -4.607 -7.708 1.558 1.00 0.00 H new ATOM 0 HG LEU A 100 -3.214 -6.269 0.363 1.00 0.00 H new ATOM 0 HD11 LEU A 100 -2.107 -7.653 -1.341 1.00 0.00 H new ATOM 0 HD12 LEU A 100 -2.521 -8.588 0.115 1.00 0.00 H new ATOM 0 HD13 LEU A 100 -3.509 -8.749 -1.356 1.00 0.00 H new ATOM 0 HD21 LEU A 100 -3.485 -5.696 -2.013 1.00 0.00 H new ATOM 0 HD22 LEU A 100 -4.977 -6.664 -2.071 1.00 0.00 H new ATOM 0 HD23 LEU A 100 -4.897 -5.214 -1.042 1.00 0.00 H new ATOM 1583 N GLN A 101 -6.877 -10.116 1.539 1.00 0.00 N ATOM 1584 CA GLN A 101 -7.996 -10.589 2.336 1.00 0.00 C ATOM 1585 C GLN A 101 -7.910 -10.028 3.757 1.00 0.00 C ATOM 1586 O GLN A 101 -6.857 -10.092 4.390 1.00 0.00 O ATOM 1587 CB GLN A 101 -8.051 -12.118 2.352 1.00 0.00 C ATOM 1588 CG GLN A 101 -9.234 -12.615 3.184 1.00 0.00 C ATOM 1589 CD GLN A 101 -8.849 -13.850 4.002 1.00 0.00 C ATOM 1590 OE1 GLN A 101 -8.582 -13.781 5.190 1.00 0.00 O ATOM 1591 NE2 GLN A 101 -8.834 -14.980 3.300 1.00 0.00 N ATOM 0 H GLN A 101 -6.030 -10.679 1.617 1.00 0.00 H new ATOM 0 HA GLN A 101 -8.919 -10.230 1.880 1.00 0.00 H new ATOM 0 HB2 GLN A 101 -8.136 -12.493 1.332 1.00 0.00 H new ATOM 0 HB3 GLN A 101 -7.122 -12.515 2.761 1.00 0.00 H new ATOM 0 HG2 GLN A 101 -9.572 -11.823 3.852 1.00 0.00 H new ATOM 0 HG3 GLN A 101 -10.070 -12.856 2.527 1.00 0.00 H new ATOM 0 HE21 GLN A 101 -9.068 -14.967 2.307 1.00 0.00 H new ATOM 0 HE22 GLN A 101 -8.588 -15.859 3.754 1.00 0.00 H new ATOM 1600 N ALA A 102 -9.031 -9.492 4.216 1.00 0.00 N ATOM 1601 CA ALA A 102 -9.095 -8.920 5.551 1.00 0.00 C ATOM 1602 C ALA A 102 -9.750 -9.926 6.500 1.00 0.00 C ATOM 1603 O ALA A 102 -10.869 -10.376 6.258 1.00 0.00 O ATOM 1604 CB ALA A 102 -9.849 -7.590 5.501 1.00 0.00 C ATOM 0 H ALA A 102 -9.902 -9.441 3.688 1.00 0.00 H new ATOM 0 HA ALA A 102 -8.094 -8.713 5.929 1.00 0.00 H new ATOM 0 HB1 ALA A 102 -9.897 -7.161 6.502 1.00 0.00 H new ATOM 0 HB2 ALA A 102 -9.328 -6.901 4.836 1.00 0.00 H new ATOM 0 HB3 ALA A 102 -10.860 -7.759 5.130 1.00 0.00 H new ATOM 1610 N ALA A 103 -9.025 -10.248 7.561 1.00 0.00 N ATOM 1611 CA ALA A 103 -9.521 -11.192 8.548 1.00 0.00 C ATOM 1612 C ALA A 103 -11.000 -10.909 8.819 1.00 0.00 C ATOM 1613 O ALA A 103 -11.857 -11.746 8.541 1.00 0.00 O ATOM 1614 CB ALA A 103 -8.669 -11.102 9.815 1.00 0.00 C ATOM 0 H ALA A 103 -8.098 -9.872 7.759 1.00 0.00 H new ATOM 0 HA ALA A 103 -9.443 -12.213 8.175 1.00 0.00 H new ATOM 0 HB1 ALA A 103 -9.042 -11.810 10.555 1.00 0.00 H new ATOM 0 HB2 ALA A 103 -7.633 -11.340 9.574 1.00 0.00 H new ATOM 0 HB3 ALA A 103 -8.725 -10.091 10.220 1.00 0.00 H new ATOM 1620 N THR A 104 -11.254 -9.726 9.359 1.00 0.00 N ATOM 1621 CA THR A 104 -12.615 -9.322 9.671 1.00 0.00 C ATOM 1622 C THR A 104 -13.200 -8.492 8.527 1.00 0.00 C ATOM 1623 O THR A 104 -12.465 -8.008 7.667 1.00 0.00 O ATOM 1624 CB THR A 104 -12.593 -8.582 11.010 1.00 0.00 C ATOM 1625 OG1 THR A 104 -11.409 -7.792 10.951 1.00 0.00 O ATOM 1626 CG2 THR A 104 -12.356 -9.521 12.194 1.00 0.00 C ATOM 0 H THR A 104 -10.541 -9.034 9.589 1.00 0.00 H new ATOM 0 HA THR A 104 -13.271 -10.186 9.772 1.00 0.00 H new ATOM 0 HB THR A 104 -13.537 -8.055 11.148 1.00 0.00 H new ATOM 0 HG1 THR A 104 -11.317 -7.277 11.780 1.00 0.00 H new ATOM 0 HG21 THR A 104 -12.350 -8.945 13.119 1.00 0.00 H new ATOM 0 HG22 THR A 104 -13.153 -10.264 12.234 1.00 0.00 H new ATOM 0 HG23 THR A 104 -11.397 -10.024 12.073 1.00 0.00 H new ATOM 1634 N PRO A 105 -14.552 -8.350 8.554 1.00 0.00 N ATOM 1635 CA PRO A 105 -15.245 -7.587 7.529 1.00 0.00 C ATOM 1636 C PRO A 105 -15.048 -6.084 7.738 1.00 0.00 C ATOM 1637 O PRO A 105 -15.315 -5.288 6.839 1.00 0.00 O ATOM 1638 CB PRO A 105 -16.699 -8.015 7.635 1.00 0.00 C ATOM 1639 CG PRO A 105 -16.848 -8.648 9.009 1.00 0.00 C ATOM 1640 CD PRO A 105 -15.454 -8.910 9.556 1.00 0.00 C ATOM 0 HA PRO A 105 -14.859 -7.780 6.528 1.00 0.00 H new ATOM 0 HB2 PRO A 105 -17.367 -7.161 7.524 1.00 0.00 H new ATOM 0 HB3 PRO A 105 -16.956 -8.724 6.848 1.00 0.00 H new ATOM 0 HG2 PRO A 105 -17.402 -7.987 9.676 1.00 0.00 H new ATOM 0 HG3 PRO A 105 -17.412 -9.578 8.942 1.00 0.00 H new ATOM 0 HD2 PRO A 105 -15.313 -8.433 10.526 1.00 0.00 H new ATOM 0 HD3 PRO A 105 -15.277 -9.976 9.696 1.00 0.00 H new ATOM 1648 N LYS A 106 -14.582 -5.740 8.930 1.00 0.00 N ATOM 1649 CA LYS A 106 -14.347 -4.347 9.268 1.00 0.00 C ATOM 1650 C LYS A 106 -12.960 -3.934 8.772 1.00 0.00 C ATOM 1651 O LYS A 106 -12.772 -2.810 8.307 1.00 0.00 O ATOM 1652 CB LYS A 106 -14.558 -4.116 10.766 1.00 0.00 C ATOM 1653 CG LYS A 106 -14.515 -2.624 11.102 1.00 0.00 C ATOM 1654 CD LYS A 106 -14.488 -2.404 12.616 1.00 0.00 C ATOM 1655 CE LYS A 106 -15.898 -2.160 13.160 1.00 0.00 C ATOM 1656 NZ LYS A 106 -15.896 -2.196 14.639 1.00 0.00 N ATOM 0 H LYS A 106 -14.361 -6.402 9.673 1.00 0.00 H new ATOM 0 HA LYS A 106 -15.071 -3.706 8.765 1.00 0.00 H new ATOM 0 HB2 LYS A 106 -15.518 -4.533 11.070 1.00 0.00 H new ATOM 0 HB3 LYS A 106 -13.788 -4.642 11.331 1.00 0.00 H new ATOM 0 HG2 LYS A 106 -13.633 -2.171 10.649 1.00 0.00 H new ATOM 0 HG3 LYS A 106 -15.385 -2.126 10.674 1.00 0.00 H new ATOM 0 HD2 LYS A 106 -14.051 -3.274 13.106 1.00 0.00 H new ATOM 0 HD3 LYS A 106 -13.851 -1.552 12.852 1.00 0.00 H new ATOM 0 HE2 LYS A 106 -16.265 -1.194 12.814 1.00 0.00 H new ATOM 0 HE3 LYS A 106 -16.580 -2.917 12.773 1.00 0.00 H new ATOM 0 HZ1 LYS A 106 -16.860 -2.029 14.992 1.00 0.00 H new ATOM 0 HZ2 LYS A 106 -15.565 -3.127 14.963 1.00 0.00 H new ATOM 0 HZ3 LYS A 106 -15.261 -1.457 15.003 1.00 0.00 H new ATOM 1670 N GLU A 107 -12.024 -4.864 8.887 1.00 0.00 N ATOM 1671 CA GLU A 107 -10.659 -4.611 8.456 1.00 0.00 C ATOM 1672 C GLU A 107 -10.628 -4.280 6.962 1.00 0.00 C ATOM 1673 O GLU A 107 -9.903 -3.381 6.537 1.00 0.00 O ATOM 1674 CB GLU A 107 -9.754 -5.803 8.772 1.00 0.00 C ATOM 1675 CG GLU A 107 -8.278 -5.409 8.685 1.00 0.00 C ATOM 1676 CD GLU A 107 -7.708 -5.109 10.073 1.00 0.00 C ATOM 1677 OE1 GLU A 107 -8.434 -4.462 10.857 1.00 0.00 O ATOM 1678 OE2 GLU A 107 -6.558 -5.534 10.317 1.00 0.00 O ATOM 0 H GLU A 107 -12.184 -5.795 9.273 1.00 0.00 H new ATOM 0 HA GLU A 107 -10.278 -3.752 9.008 1.00 0.00 H new ATOM 0 HB2 GLU A 107 -9.976 -6.178 9.771 1.00 0.00 H new ATOM 0 HB3 GLU A 107 -9.959 -6.615 8.074 1.00 0.00 H new ATOM 0 HG2 GLU A 107 -7.710 -6.215 8.221 1.00 0.00 H new ATOM 0 HG3 GLU A 107 -8.169 -4.533 8.046 1.00 0.00 H new ATOM 1685 N ARG A 108 -11.422 -5.024 6.207 1.00 0.00 N ATOM 1686 CA ARG A 108 -11.494 -4.821 4.770 1.00 0.00 C ATOM 1687 C ARG A 108 -11.880 -3.374 4.457 1.00 0.00 C ATOM 1688 O ARG A 108 -11.308 -2.754 3.562 1.00 0.00 O ATOM 1689 CB ARG A 108 -12.516 -5.763 4.131 1.00 0.00 C ATOM 1690 CG ARG A 108 -12.619 -5.520 2.624 1.00 0.00 C ATOM 1691 CD ARG A 108 -14.027 -5.065 2.237 1.00 0.00 C ATOM 1692 NE ARG A 108 -14.845 -6.231 1.837 1.00 0.00 N ATOM 1693 CZ ARG A 108 -16.184 -6.256 1.868 1.00 0.00 C ATOM 1694 NH1 ARG A 108 -16.865 -5.179 2.280 1.00 0.00 N ATOM 1695 NH2 ARG A 108 -16.843 -7.359 1.486 1.00 0.00 N ATOM 0 H ARG A 108 -12.021 -5.769 6.563 1.00 0.00 H new ATOM 0 HA ARG A 108 -10.509 -5.036 4.355 1.00 0.00 H new ATOM 0 HB2 ARG A 108 -12.228 -6.798 4.317 1.00 0.00 H new ATOM 0 HB3 ARG A 108 -13.492 -5.615 4.594 1.00 0.00 H new ATOM 0 HG2 ARG A 108 -11.893 -4.764 2.324 1.00 0.00 H new ATOM 0 HG3 ARG A 108 -12.368 -6.434 2.087 1.00 0.00 H new ATOM 0 HD2 ARG A 108 -14.496 -4.553 3.077 1.00 0.00 H new ATOM 0 HD3 ARG A 108 -13.974 -4.349 1.417 1.00 0.00 H new ATOM 0 HE ARG A 108 -14.359 -7.069 1.517 1.00 0.00 H new ATOM 0 HH11 ARG A 108 -16.364 -4.339 2.570 1.00 0.00 H new ATOM 0 HH12 ARG A 108 -17.885 -5.198 2.303 1.00 0.00 H new ATOM 0 HH21 ARG A 108 -16.325 -8.179 1.172 1.00 0.00 H new ATOM 0 HH22 ARG A 108 -17.863 -7.378 1.510 1.00 0.00 H new ATOM 1709 N THR A 109 -12.849 -2.877 5.213 1.00 0.00 N ATOM 1710 CA THR A 109 -13.318 -1.514 5.028 1.00 0.00 C ATOM 1711 C THR A 109 -12.280 -0.517 5.547 1.00 0.00 C ATOM 1712 O THR A 109 -12.035 0.513 4.920 1.00 0.00 O ATOM 1713 CB THR A 109 -14.679 -1.385 5.713 1.00 0.00 C ATOM 1714 OG1 THR A 109 -15.611 -1.797 4.716 1.00 0.00 O ATOM 1715 CG2 THR A 109 -15.057 0.070 5.998 1.00 0.00 C ATOM 0 H THR A 109 -13.322 -3.394 5.954 1.00 0.00 H new ATOM 0 HA THR A 109 -13.446 -1.281 3.971 1.00 0.00 H new ATOM 0 HB THR A 109 -14.669 -1.946 6.647 1.00 0.00 H new ATOM 0 HG1 THR A 109 -16.521 -1.746 5.077 1.00 0.00 H new ATOM 0 HG21 THR A 109 -16.032 0.104 6.485 1.00 0.00 H new ATOM 0 HG22 THR A 109 -14.309 0.519 6.652 1.00 0.00 H new ATOM 0 HG23 THR A 109 -15.100 0.625 5.061 1.00 0.00 H new ATOM 1723 N GLU A 110 -11.697 -0.859 6.686 1.00 0.00 N ATOM 1724 CA GLU A 110 -10.691 -0.007 7.297 1.00 0.00 C ATOM 1725 C GLU A 110 -9.496 0.161 6.356 1.00 0.00 C ATOM 1726 O GLU A 110 -9.111 1.283 6.029 1.00 0.00 O ATOM 1727 CB GLU A 110 -10.248 -0.564 8.651 1.00 0.00 C ATOM 1728 CG GLU A 110 -11.323 -0.334 9.716 1.00 0.00 C ATOM 1729 CD GLU A 110 -10.693 0.052 11.056 1.00 0.00 C ATOM 1730 OE1 GLU A 110 -10.046 1.120 11.092 1.00 0.00 O ATOM 1731 OE2 GLU A 110 -10.874 -0.731 12.014 1.00 0.00 O ATOM 0 H GLU A 110 -11.902 -1.715 7.202 1.00 0.00 H new ATOM 0 HA GLU A 110 -11.132 0.974 7.472 1.00 0.00 H new ATOM 0 HB2 GLU A 110 -10.043 -1.631 8.560 1.00 0.00 H new ATOM 0 HB3 GLU A 110 -9.318 -0.086 8.958 1.00 0.00 H new ATOM 0 HG2 GLU A 110 -12.002 0.454 9.389 1.00 0.00 H new ATOM 0 HG3 GLU A 110 -11.919 -1.238 9.837 1.00 0.00 H new ATOM 1738 N TRP A 111 -8.941 -0.971 5.948 1.00 0.00 N ATOM 1739 CA TRP A 111 -7.797 -0.964 5.052 1.00 0.00 C ATOM 1740 C TRP A 111 -8.099 0.007 3.908 1.00 0.00 C ATOM 1741 O TRP A 111 -7.374 0.979 3.707 1.00 0.00 O ATOM 1742 CB TRP A 111 -7.472 -2.377 4.566 1.00 0.00 C ATOM 1743 CG TRP A 111 -6.353 -3.063 5.352 1.00 0.00 C ATOM 1744 CD1 TRP A 111 -6.423 -4.189 6.076 1.00 0.00 C ATOM 1745 CD2 TRP A 111 -4.984 -2.620 5.463 1.00 0.00 C ATOM 1746 NE1 TRP A 111 -5.205 -4.502 6.644 1.00 0.00 N ATOM 1747 CE2 TRP A 111 -4.302 -3.517 6.259 1.00 0.00 C ATOM 1748 CE3 TRP A 111 -4.343 -1.497 4.910 1.00 0.00 C ATOM 1749 CZ2 TRP A 111 -2.944 -3.385 6.574 1.00 0.00 C ATOM 1750 CZ3 TRP A 111 -2.986 -1.379 5.233 1.00 0.00 C ATOM 1751 CH2 TRP A 111 -2.285 -2.274 6.033 1.00 0.00 C ATOM 0 H TRP A 111 -9.263 -1.900 6.222 1.00 0.00 H new ATOM 0 HA TRP A 111 -6.902 -0.623 5.572 1.00 0.00 H new ATOM 0 HB2 TRP A 111 -8.373 -2.988 4.628 1.00 0.00 H new ATOM 0 HB3 TRP A 111 -7.189 -2.332 3.514 1.00 0.00 H new ATOM 0 HD1 TRP A 111 -7.320 -4.777 6.199 1.00 0.00 H new ATOM 0 HE1 TRP A 111 -5.004 -5.307 7.237 1.00 0.00 H new ATOM 0 HE3 TRP A 111 -4.857 -0.782 4.285 1.00 0.00 H new ATOM 0 HZ2 TRP A 111 -2.433 -4.101 7.200 1.00 0.00 H new ATOM 0 HZ3 TRP A 111 -2.446 -0.534 4.833 1.00 0.00 H new ATOM 0 HH2 TRP A 111 -1.237 -2.113 6.236 1.00 0.00 H new ATOM 1762 N ILE A 112 -9.171 -0.291 3.189 1.00 0.00 N ATOM 1763 CA ILE A 112 -9.578 0.543 2.071 1.00 0.00 C ATOM 1764 C ILE A 112 -9.431 2.015 2.459 1.00 0.00 C ATOM 1765 O ILE A 112 -8.643 2.743 1.858 1.00 0.00 O ATOM 1766 CB ILE A 112 -10.987 0.166 1.607 1.00 0.00 C ATOM 1767 CG1 ILE A 112 -10.938 -0.931 0.541 1.00 0.00 C ATOM 1768 CG2 ILE A 112 -11.753 1.400 1.125 1.00 0.00 C ATOM 1769 CD1 ILE A 112 -11.802 -2.127 0.946 1.00 0.00 C ATOM 0 H ILE A 112 -9.770 -1.099 3.359 1.00 0.00 H new ATOM 0 HA ILE A 112 -8.929 0.373 1.212 1.00 0.00 H new ATOM 0 HB ILE A 112 -11.531 -0.239 2.460 1.00 0.00 H new ATOM 0 HG12 ILE A 112 -11.286 -0.533 -0.412 1.00 0.00 H new ATOM 0 HG13 ILE A 112 -9.908 -1.255 0.394 1.00 0.00 H new ATOM 0 HG21 ILE A 112 -12.751 1.105 0.801 1.00 0.00 H new ATOM 0 HG22 ILE A 112 -11.834 2.119 1.940 1.00 0.00 H new ATOM 0 HG23 ILE A 112 -11.220 1.856 0.290 1.00 0.00 H new ATOM 0 HD11 ILE A 112 -11.750 -2.892 0.172 1.00 0.00 H new ATOM 0 HD12 ILE A 112 -11.437 -2.538 1.887 1.00 0.00 H new ATOM 0 HD13 ILE A 112 -12.836 -1.804 1.068 1.00 0.00 H new ATOM 1781 N LYS A 113 -10.203 2.410 3.461 1.00 0.00 N ATOM 1782 CA LYS A 113 -10.168 3.783 3.936 1.00 0.00 C ATOM 1783 C LYS A 113 -8.735 4.146 4.328 1.00 0.00 C ATOM 1784 O LYS A 113 -8.326 5.300 4.200 1.00 0.00 O ATOM 1785 CB LYS A 113 -11.184 3.986 5.062 1.00 0.00 C ATOM 1786 CG LYS A 113 -12.545 3.396 4.687 1.00 0.00 C ATOM 1787 CD LYS A 113 -13.623 4.481 4.657 1.00 0.00 C ATOM 1788 CE LYS A 113 -14.586 4.328 5.836 1.00 0.00 C ATOM 1789 NZ LYS A 113 -14.810 5.634 6.495 1.00 0.00 N ATOM 0 H LYS A 113 -10.856 1.803 3.957 1.00 0.00 H new ATOM 0 HA LYS A 113 -10.465 4.469 3.142 1.00 0.00 H new ATOM 0 HB2 LYS A 113 -10.819 3.515 5.975 1.00 0.00 H new ATOM 0 HB3 LYS A 113 -11.291 5.050 5.273 1.00 0.00 H new ATOM 0 HG2 LYS A 113 -12.481 2.915 3.711 1.00 0.00 H new ATOM 0 HG3 LYS A 113 -12.821 2.624 5.405 1.00 0.00 H new ATOM 0 HD2 LYS A 113 -13.155 5.465 4.690 1.00 0.00 H new ATOM 0 HD3 LYS A 113 -14.177 4.423 3.720 1.00 0.00 H new ATOM 0 HE2 LYS A 113 -15.536 3.922 5.487 1.00 0.00 H new ATOM 0 HE3 LYS A 113 -14.180 3.616 6.555 1.00 0.00 H new ATOM 0 HZ1 LYS A 113 -15.466 5.512 7.293 1.00 0.00 H new ATOM 0 HZ2 LYS A 113 -13.904 6.006 6.845 1.00 0.00 H new ATOM 0 HZ3 LYS A 113 -15.218 6.303 5.811 1.00 0.00 H new ATOM 1803 N ALA A 114 -8.010 3.141 4.798 1.00 0.00 N ATOM 1804 CA ALA A 114 -6.631 3.341 5.209 1.00 0.00 C ATOM 1805 C ALA A 114 -5.801 3.775 3.999 1.00 0.00 C ATOM 1806 O ALA A 114 -5.100 4.784 4.053 1.00 0.00 O ATOM 1807 CB ALA A 114 -6.099 2.058 5.851 1.00 0.00 C ATOM 0 H ALA A 114 -8.352 2.186 4.903 1.00 0.00 H new ATOM 0 HA ALA A 114 -6.564 4.132 5.956 1.00 0.00 H new ATOM 0 HB1 ALA A 114 -5.064 2.207 6.160 1.00 0.00 H new ATOM 0 HB2 ALA A 114 -6.705 1.809 6.722 1.00 0.00 H new ATOM 0 HB3 ALA A 114 -6.148 1.243 5.129 1.00 0.00 H new ATOM 1813 N ILE A 115 -5.907 2.991 2.937 1.00 0.00 N ATOM 1814 CA ILE A 115 -5.174 3.282 1.716 1.00 0.00 C ATOM 1815 C ILE A 115 -5.636 4.630 1.158 1.00 0.00 C ATOM 1816 O ILE A 115 -4.814 5.465 0.784 1.00 0.00 O ATOM 1817 CB ILE A 115 -5.309 2.126 0.722 1.00 0.00 C ATOM 1818 CG1 ILE A 115 -4.552 0.890 1.213 1.00 0.00 C ATOM 1819 CG2 ILE A 115 -4.864 2.553 -0.678 1.00 0.00 C ATOM 1820 CD1 ILE A 115 -5.503 -0.292 1.411 1.00 0.00 C ATOM 0 H ILE A 115 -6.489 2.154 2.896 1.00 0.00 H new ATOM 0 HA ILE A 115 -4.108 3.371 1.924 1.00 0.00 H new ATOM 0 HB ILE A 115 -6.362 1.853 0.656 1.00 0.00 H new ATOM 0 HG12 ILE A 115 -3.779 0.623 0.493 1.00 0.00 H new ATOM 0 HG13 ILE A 115 -4.048 1.117 2.152 1.00 0.00 H new ATOM 0 HG21 ILE A 115 -4.970 1.714 -1.365 1.00 0.00 H new ATOM 0 HG22 ILE A 115 -5.484 3.382 -1.020 1.00 0.00 H new ATOM 0 HG23 ILE A 115 -3.821 2.868 -0.648 1.00 0.00 H new ATOM 0 HD11 ILE A 115 -4.940 -1.158 1.760 1.00 0.00 H new ATOM 0 HD12 ILE A 115 -6.260 -0.030 2.150 1.00 0.00 H new ATOM 0 HD13 ILE A 115 -5.987 -0.532 0.464 1.00 0.00 H new ATOM 1832 N GLN A 116 -6.949 4.800 1.120 1.00 0.00 N ATOM 1833 CA GLN A 116 -7.530 6.032 0.614 1.00 0.00 C ATOM 1834 C GLN A 116 -6.958 7.236 1.365 1.00 0.00 C ATOM 1835 O GLN A 116 -6.517 8.204 0.749 1.00 0.00 O ATOM 1836 CB GLN A 116 -9.056 5.999 0.711 1.00 0.00 C ATOM 1837 CG GLN A 116 -9.624 4.762 0.012 1.00 0.00 C ATOM 1838 CD GLN A 116 -10.643 5.156 -1.059 1.00 0.00 C ATOM 1839 OE1 GLN A 116 -10.509 6.159 -1.740 1.00 0.00 O ATOM 1840 NE2 GLN A 116 -11.666 4.314 -1.168 1.00 0.00 N ATOM 0 H GLN A 116 -7.627 4.105 1.431 1.00 0.00 H new ATOM 0 HA GLN A 116 -7.268 6.128 -0.440 1.00 0.00 H new ATOM 0 HB2 GLN A 116 -9.357 5.999 1.759 1.00 0.00 H new ATOM 0 HB3 GLN A 116 -9.472 6.899 0.259 1.00 0.00 H new ATOM 0 HG2 GLN A 116 -8.813 4.193 -0.444 1.00 0.00 H new ATOM 0 HG3 GLN A 116 -10.097 4.110 0.746 1.00 0.00 H new ATOM 0 HE21 GLN A 116 -11.717 3.492 -0.566 1.00 0.00 H new ATOM 0 HE22 GLN A 116 -12.400 4.490 -1.854 1.00 0.00 H new ATOM 1849 N MET A 117 -6.985 7.135 2.686 1.00 0.00 N ATOM 1850 CA MET A 117 -6.475 8.204 3.528 1.00 0.00 C ATOM 1851 C MET A 117 -5.082 8.643 3.073 1.00 0.00 C ATOM 1852 O MET A 117 -4.822 9.836 2.919 1.00 0.00 O ATOM 1853 CB MET A 117 -6.410 7.724 4.980 1.00 0.00 C ATOM 1854 CG MET A 117 -5.015 7.943 5.568 1.00 0.00 C ATOM 1855 SD MET A 117 -5.049 7.683 7.334 1.00 0.00 S ATOM 1856 CE MET A 117 -5.500 5.956 7.383 1.00 0.00 C ATOM 0 H MET A 117 -7.352 6.330 3.194 1.00 0.00 H new ATOM 0 HA MET A 117 -7.149 9.057 3.448 1.00 0.00 H new ATOM 0 HB2 MET A 117 -7.148 8.259 5.577 1.00 0.00 H new ATOM 0 HB3 MET A 117 -6.667 6.666 5.029 1.00 0.00 H new ATOM 0 HG2 MET A 117 -4.305 7.258 5.105 1.00 0.00 H new ATOM 0 HG3 MET A 117 -4.673 8.954 5.348 1.00 0.00 H new ATOM 0 HE1 MET A 117 -5.360 5.572 8.393 1.00 0.00 H new ATOM 0 HE2 MET A 117 -6.545 5.845 7.094 1.00 0.00 H new ATOM 0 HE3 MET A 117 -4.870 5.396 6.692 1.00 0.00 H new ATOM 1866 N ALA A 118 -4.222 7.656 2.871 1.00 0.00 N ATOM 1867 CA ALA A 118 -2.862 7.926 2.436 1.00 0.00 C ATOM 1868 C ALA A 118 -2.881 8.408 0.985 1.00 0.00 C ATOM 1869 O ALA A 118 -2.491 9.539 0.697 1.00 0.00 O ATOM 1870 CB ALA A 118 -2.008 6.670 2.622 1.00 0.00 C ATOM 0 H ALA A 118 -4.440 6.668 3.000 1.00 0.00 H new ATOM 0 HA ALA A 118 -2.416 8.716 3.040 1.00 0.00 H new ATOM 0 HB1 ALA A 118 -0.988 6.872 2.296 1.00 0.00 H new ATOM 0 HB2 ALA A 118 -2.003 6.386 3.674 1.00 0.00 H new ATOM 0 HB3 ALA A 118 -2.424 5.856 2.029 1.00 0.00 H new ATOM 1876 N SER A 119 -3.338 7.527 0.107 1.00 0.00 N ATOM 1877 CA SER A 119 -3.413 7.849 -1.308 1.00 0.00 C ATOM 1878 C SER A 119 -4.009 9.245 -1.496 1.00 0.00 C ATOM 1879 O SER A 119 -3.654 9.954 -2.435 1.00 0.00 O ATOM 1880 CB SER A 119 -4.242 6.810 -2.065 1.00 0.00 C ATOM 1881 OG SER A 119 -5.623 6.874 -1.718 1.00 0.00 O ATOM 0 H SER A 119 -3.660 6.590 0.348 1.00 0.00 H new ATOM 0 HA SER A 119 -2.403 7.835 -1.717 1.00 0.00 H new ATOM 0 HB2 SER A 119 -4.130 6.968 -3.138 1.00 0.00 H new ATOM 0 HB3 SER A 119 -3.859 5.813 -1.848 1.00 0.00 H new ATOM 0 HG SER A 119 -5.721 7.309 -0.845 1.00 0.00 H new ATOM 1887 N ARG A 120 -4.907 9.598 -0.587 1.00 0.00 N ATOM 1888 CA ARG A 120 -5.556 10.896 -0.641 1.00 0.00 C ATOM 1889 C ARG A 120 -4.520 12.014 -0.506 1.00 0.00 C ATOM 1890 O ARG A 120 -4.563 12.998 -1.242 1.00 0.00 O ATOM 1891 CB ARG A 120 -6.597 11.038 0.472 1.00 0.00 C ATOM 1892 CG ARG A 120 -7.965 10.532 0.010 1.00 0.00 C ATOM 1893 CD ARG A 120 -8.563 11.458 -1.051 1.00 0.00 C ATOM 1894 NE ARG A 120 -9.932 11.014 -1.397 1.00 0.00 N ATOM 1895 CZ ARG A 120 -10.999 11.182 -0.604 1.00 0.00 C ATOM 1896 NH1 ARG A 120 -10.862 11.785 0.585 1.00 0.00 N ATOM 1897 NH2 ARG A 120 -12.203 10.748 -1.000 1.00 0.00 N ATOM 0 H ARG A 120 -5.200 9.007 0.191 1.00 0.00 H new ATOM 0 HA ARG A 120 -6.058 10.976 -1.605 1.00 0.00 H new ATOM 0 HB2 ARG A 120 -6.275 10.477 1.350 1.00 0.00 H new ATOM 0 HB3 ARG A 120 -6.674 12.083 0.772 1.00 0.00 H new ATOM 0 HG2 ARG A 120 -7.866 9.525 -0.395 1.00 0.00 H new ATOM 0 HG3 ARG A 120 -8.640 10.467 0.863 1.00 0.00 H new ATOM 0 HD2 ARG A 120 -8.587 12.482 -0.680 1.00 0.00 H new ATOM 0 HD3 ARG A 120 -7.935 11.457 -1.942 1.00 0.00 H new ATOM 0 HE ARG A 120 -10.072 10.551 -2.295 1.00 0.00 H new ATOM 0 HH11 ARG A 120 -9.945 12.116 0.886 1.00 0.00 H new ATOM 0 HH12 ARG A 120 -11.674 11.913 1.189 1.00 0.00 H new ATOM 0 HH21 ARG A 120 -12.308 10.290 -1.905 1.00 0.00 H new ATOM 0 HH22 ARG A 120 -13.015 10.876 -0.396 1.00 0.00 H new