USER MOD reduce.3.24.130724 H: found=0, std=0, add=705, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 705 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 47 TYR OH : rot 180:sc= 0 USER MOD Set 1.2: A 64 HIS :FLIP no HE2:sc= -5.83! C(o=-7.3!,f=-5.8!) USER MOD Single : A 20 LYS NZ :NH3+ 166:sc= 0.962 (180deg=0.336) USER MOD Single : A 21 GLN : amide:sc= -6.52! C(o=-6.5!,f=-6.2!) USER MOD Single : A 23 CYS SG : rot 180:sc= 0 USER MOD Single : A 26 LYS NZ :NH3+ -117:sc= 0.0171 (180deg=0) USER MOD Single : A 27 GLN : amide:sc= -0.182 K(o=-0.18,f=-0.84) USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= -0.649 (180deg=-0.649) USER MOD Single : A 49 HIS : no HD1:sc= -3.62! C(o=-3.6!,f=-4!) USER MOD Single : A 50 TYR OH : rot 180:sc= -0.936 USER MOD Single : A 51 TYR OH : rot 165:sc= -0.0394 USER MOD Single : A 68 CYS SG : rot -77:sc= -1.14 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= -0.509 X(o=-0.51,f=-0.034) USER MOD Single : A 92 THR OG1 : rot 160:sc= -0.0345 USER MOD Single : A 97 HIS : no HD1:sc= -6.11! C(o=-6.1!,f=-8.2!) USER MOD Single : A 98 TYR OH : rot 180:sc= -0.278 USER MOD Single : A 101 GLN : amide:sc= -0.0123 X(o=-0.012,f=-0.0028) USER MOD Single : A 104 THR OG1 : rot 180:sc= 0.0717 USER MOD Single : A 106 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 109 THR OG1 : rot 180:sc= 0 USER MOD Single : A 113 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 116 GLN : amide:sc= -2.83! C(o=-2.8!,f=-3.5!) USER MOD Single : A 117 MET CE :methyl 171:sc= -3.03! (180deg=-3.84!) USER MOD Single : A 119 SER OG : rot -19:sc= -0.531 USER MOD ----------------------------------------------------------------- ATOM 223 N VAL A 17 4.596 8.573 8.484 1.00 0.00 N ATOM 224 CA VAL A 17 4.268 7.739 9.628 1.00 0.00 C ATOM 225 C VAL A 17 3.317 6.624 9.185 1.00 0.00 C ATOM 226 O VAL A 17 2.830 6.632 8.056 1.00 0.00 O ATOM 227 CB VAL A 17 3.695 8.599 10.756 1.00 0.00 C ATOM 228 CG1 VAL A 17 2.265 9.041 10.438 1.00 0.00 C ATOM 229 CG2 VAL A 17 3.756 7.860 12.094 1.00 0.00 C ATOM 0 HA VAL A 17 5.166 7.264 10.023 1.00 0.00 H new ATOM 0 HB VAL A 17 4.311 9.495 10.839 1.00 0.00 H new ATOM 0 HG11 VAL A 17 1.882 9.651 11.256 1.00 0.00 H new ATOM 0 HG12 VAL A 17 2.261 9.625 9.518 1.00 0.00 H new ATOM 0 HG13 VAL A 17 1.632 8.163 10.313 1.00 0.00 H new ATOM 0 HG21 VAL A 17 3.343 8.494 12.879 1.00 0.00 H new ATOM 0 HG22 VAL A 17 3.176 6.939 12.028 1.00 0.00 H new ATOM 0 HG23 VAL A 17 4.793 7.620 12.330 1.00 0.00 H new ATOM 239 N ILE A 18 3.083 5.693 10.098 1.00 0.00 N ATOM 240 CA ILE A 18 2.200 4.574 9.816 1.00 0.00 C ATOM 241 C ILE A 18 0.771 4.942 10.222 1.00 0.00 C ATOM 242 O ILE A 18 0.564 5.633 11.218 1.00 0.00 O ATOM 243 CB ILE A 18 2.720 3.299 10.483 1.00 0.00 C ATOM 244 CG1 ILE A 18 4.147 2.986 10.029 1.00 0.00 C ATOM 245 CG2 ILE A 18 1.769 2.126 10.239 1.00 0.00 C ATOM 246 CD1 ILE A 18 4.215 2.821 8.509 1.00 0.00 C ATOM 0 H ILE A 18 3.489 5.691 11.034 1.00 0.00 H new ATOM 0 HA ILE A 18 2.183 4.362 8.747 1.00 0.00 H new ATOM 0 HB ILE A 18 2.755 3.466 11.560 1.00 0.00 H new ATOM 0 HG12 ILE A 18 4.816 3.788 10.342 1.00 0.00 H new ATOM 0 HG13 ILE A 18 4.495 2.074 10.513 1.00 0.00 H new ATOM 0 HG21 ILE A 18 2.162 1.232 10.724 1.00 0.00 H new ATOM 0 HG22 ILE A 18 0.788 2.361 10.652 1.00 0.00 H new ATOM 0 HG23 ILE A 18 1.679 1.948 9.167 1.00 0.00 H new ATOM 0 HD11 ILE A 18 5.240 2.599 8.213 1.00 0.00 H new ATOM 0 HD12 ILE A 18 3.563 2.003 8.202 1.00 0.00 H new ATOM 0 HD13 ILE A 18 3.890 3.743 8.028 1.00 0.00 H new ATOM 258 N ILE A 19 -0.177 4.465 9.430 1.00 0.00 N ATOM 259 CA ILE A 19 -1.580 4.735 9.694 1.00 0.00 C ATOM 260 C ILE A 19 -2.282 3.431 10.080 1.00 0.00 C ATOM 261 O ILE A 19 -3.186 3.432 10.914 1.00 0.00 O ATOM 262 CB ILE A 19 -2.221 5.451 8.504 1.00 0.00 C ATOM 263 CG1 ILE A 19 -1.726 4.865 7.180 1.00 0.00 C ATOM 264 CG2 ILE A 19 -1.992 6.961 8.584 1.00 0.00 C ATOM 265 CD1 ILE A 19 -0.519 5.643 6.654 1.00 0.00 C ATOM 0 H ILE A 19 -0.001 3.893 8.604 1.00 0.00 H new ATOM 0 HA ILE A 19 -1.685 5.416 10.539 1.00 0.00 H new ATOM 0 HB ILE A 19 -3.298 5.287 8.546 1.00 0.00 H new ATOM 0 HG12 ILE A 19 -1.456 3.818 7.320 1.00 0.00 H new ATOM 0 HG13 ILE A 19 -2.529 4.891 6.444 1.00 0.00 H new ATOM 0 HG21 ILE A 19 -2.458 7.446 7.726 1.00 0.00 H new ATOM 0 HG22 ILE A 19 -2.433 7.348 9.503 1.00 0.00 H new ATOM 0 HG23 ILE A 19 -0.922 7.167 8.580 1.00 0.00 H new ATOM 0 HD11 ILE A 19 -0.187 5.206 5.712 1.00 0.00 H new ATOM 0 HD12 ILE A 19 -0.799 6.684 6.492 1.00 0.00 H new ATOM 0 HD13 ILE A 19 0.291 5.594 7.382 1.00 0.00 H new ATOM 277 N LYS A 20 -1.840 2.351 9.453 1.00 0.00 N ATOM 278 CA LYS A 20 -2.415 1.043 9.720 1.00 0.00 C ATOM 279 C LYS A 20 -1.391 -0.040 9.373 1.00 0.00 C ATOM 280 O LYS A 20 -0.573 0.140 8.472 1.00 0.00 O ATOM 281 CB LYS A 20 -3.749 0.885 8.988 1.00 0.00 C ATOM 282 CG LYS A 20 -4.467 -0.393 9.426 1.00 0.00 C ATOM 283 CD LYS A 20 -5.983 -0.247 9.281 1.00 0.00 C ATOM 284 CE LYS A 20 -6.682 -1.597 9.457 1.00 0.00 C ATOM 285 NZ LYS A 20 -7.738 -1.503 10.489 1.00 0.00 N ATOM 0 H LYS A 20 -1.091 2.354 8.761 1.00 0.00 H new ATOM 0 HA LYS A 20 -2.645 0.937 10.780 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -4.382 1.749 9.188 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -3.577 0.859 7.912 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -4.120 -1.234 8.825 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -4.217 -0.618 10.463 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -6.357 0.460 10.022 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -6.220 0.165 8.300 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -7.118 -1.914 8.510 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -5.953 -2.356 9.742 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -8.353 -2.339 10.433 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -7.300 -1.458 11.431 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -8.304 -0.645 10.329 1.00 0.00 H new ATOM 299 N GLN A 21 -1.469 -1.140 10.107 1.00 0.00 N ATOM 300 CA GLN A 21 -0.560 -2.252 9.888 1.00 0.00 C ATOM 301 C GLN A 21 -1.273 -3.580 10.148 1.00 0.00 C ATOM 302 O GLN A 21 -2.377 -3.600 10.689 1.00 0.00 O ATOM 303 CB GLN A 21 0.689 -2.119 10.763 1.00 0.00 C ATOM 304 CG GLN A 21 1.532 -0.916 10.336 1.00 0.00 C ATOM 305 CD GLN A 21 2.533 -0.533 11.428 1.00 0.00 C ATOM 306 OE1 GLN A 21 2.235 0.211 12.347 1.00 0.00 O ATOM 307 NE2 GLN A 21 3.735 -1.083 11.276 1.00 0.00 N ATOM 0 H GLN A 21 -2.148 -1.285 10.854 1.00 0.00 H new ATOM 0 HA GLN A 21 -0.238 -2.233 8.847 1.00 0.00 H new ATOM 0 HB2 GLN A 21 0.396 -2.010 11.807 1.00 0.00 H new ATOM 0 HB3 GLN A 21 1.285 -3.029 10.693 1.00 0.00 H new ATOM 0 HG2 GLN A 21 2.065 -1.150 9.415 1.00 0.00 H new ATOM 0 HG3 GLN A 21 0.881 -0.069 10.121 1.00 0.00 H new ATOM 0 HE21 GLN A 21 3.918 -1.698 10.483 1.00 0.00 H new ATOM 0 HE22 GLN A 21 4.473 -0.890 11.953 1.00 0.00 H new ATOM 316 N GLY A 22 -0.612 -4.658 9.751 1.00 0.00 N ATOM 317 CA GLY A 22 -1.169 -5.987 9.934 1.00 0.00 C ATOM 318 C GLY A 22 -0.703 -6.934 8.826 1.00 0.00 C ATOM 319 O GLY A 22 0.122 -6.563 7.993 1.00 0.00 O ATOM 0 H GLY A 22 0.304 -4.638 9.303 1.00 0.00 H new ATOM 0 HA2 GLY A 22 -0.868 -6.381 10.905 1.00 0.00 H new ATOM 0 HA3 GLY A 22 -2.258 -5.932 9.936 1.00 0.00 H new ATOM 323 N CYS A 23 -1.252 -8.140 8.853 1.00 0.00 N ATOM 324 CA CYS A 23 -0.903 -9.143 7.861 1.00 0.00 C ATOM 325 C CYS A 23 -2.101 -9.334 6.929 1.00 0.00 C ATOM 326 O CYS A 23 -3.238 -9.440 7.387 1.00 0.00 O ATOM 327 CB CYS A 23 -0.473 -10.458 8.514 1.00 0.00 C ATOM 328 SG CYS A 23 1.215 -10.293 9.200 1.00 0.00 S ATOM 0 H CYS A 23 -1.936 -8.445 9.546 1.00 0.00 H new ATOM 0 HA CYS A 23 -0.044 -8.803 7.282 1.00 0.00 H new ATOM 0 HB2 CYS A 23 -1.172 -10.726 9.306 1.00 0.00 H new ATOM 0 HB3 CYS A 23 -0.499 -11.264 7.780 1.00 0.00 H new ATOM 0 HG CYS A 23 1.570 -11.414 9.754 1.00 0.00 H new ATOM 334 N LEU A 24 -1.805 -9.371 5.638 1.00 0.00 N ATOM 335 CA LEU A 24 -2.844 -9.548 4.637 1.00 0.00 C ATOM 336 C LEU A 24 -2.433 -10.662 3.673 1.00 0.00 C ATOM 337 O LEU A 24 -1.252 -10.985 3.559 1.00 0.00 O ATOM 338 CB LEU A 24 -3.152 -8.218 3.945 1.00 0.00 C ATOM 339 CG LEU A 24 -4.059 -7.256 4.715 1.00 0.00 C ATOM 340 CD1 LEU A 24 -4.060 -5.869 4.068 1.00 0.00 C ATOM 341 CD2 LEU A 24 -5.472 -7.825 4.852 1.00 0.00 C ATOM 0 H LEU A 24 -0.861 -9.281 5.262 1.00 0.00 H new ATOM 0 HA LEU A 24 -3.777 -9.861 5.106 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -2.209 -7.711 3.740 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -3.616 -8.431 2.982 1.00 0.00 H new ATOM 0 HG LEU A 24 -3.659 -7.142 5.723 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -4.712 -5.204 4.634 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -3.046 -5.468 4.066 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -4.422 -5.946 3.043 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -6.096 -7.121 5.403 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -5.897 -7.987 3.861 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -5.432 -8.773 5.389 1.00 0.00 H new ATOM 353 N LEU A 25 -3.431 -11.219 3.003 1.00 0.00 N ATOM 354 CA LEU A 25 -3.189 -12.291 2.052 1.00 0.00 C ATOM 355 C LEU A 25 -3.050 -11.699 0.648 1.00 0.00 C ATOM 356 O LEU A 25 -4.049 -11.395 -0.002 1.00 0.00 O ATOM 357 CB LEU A 25 -4.275 -13.363 2.164 1.00 0.00 C ATOM 358 CG LEU A 25 -4.534 -13.911 3.568 1.00 0.00 C ATOM 359 CD1 LEU A 25 -3.318 -14.680 4.089 1.00 0.00 C ATOM 360 CD2 LEU A 25 -4.958 -12.794 4.524 1.00 0.00 C ATOM 0 H LEU A 25 -4.410 -10.948 3.100 1.00 0.00 H new ATOM 0 HA LEU A 25 -2.251 -12.797 2.279 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -5.207 -12.949 1.779 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -4.004 -14.196 1.515 1.00 0.00 H new ATOM 0 HG LEU A 25 -5.362 -14.617 3.511 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -3.528 -15.059 5.089 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -3.103 -15.515 3.422 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -2.456 -14.014 4.127 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -5.136 -13.211 5.515 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -4.168 -12.045 4.582 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -5.873 -12.329 4.157 1.00 0.00 H new ATOM 372 N LYS A 26 -1.804 -11.554 0.221 1.00 0.00 N ATOM 373 CA LYS A 26 -1.523 -11.005 -1.094 1.00 0.00 C ATOM 374 C LYS A 26 -1.560 -12.129 -2.130 1.00 0.00 C ATOM 375 O LYS A 26 -0.582 -12.856 -2.298 1.00 0.00 O ATOM 376 CB LYS A 26 -0.206 -10.226 -1.078 1.00 0.00 C ATOM 377 CG LYS A 26 0.021 -9.505 -2.409 1.00 0.00 C ATOM 378 CD LYS A 26 1.475 -9.050 -2.545 1.00 0.00 C ATOM 379 CE LYS A 26 1.564 -7.715 -3.288 1.00 0.00 C ATOM 380 NZ LYS A 26 2.890 -7.565 -3.927 1.00 0.00 N ATOM 0 H LYS A 26 -0.978 -11.807 0.763 1.00 0.00 H new ATOM 0 HA LYS A 26 -2.290 -10.285 -1.378 1.00 0.00 H new ATOM 0 HB2 LYS A 26 -0.218 -9.500 -0.265 1.00 0.00 H new ATOM 0 HB3 LYS A 26 0.622 -10.908 -0.884 1.00 0.00 H new ATOM 0 HG2 LYS A 26 -0.235 -10.169 -3.235 1.00 0.00 H new ATOM 0 HG3 LYS A 26 -0.642 -8.642 -2.477 1.00 0.00 H new ATOM 0 HD2 LYS A 26 1.923 -8.951 -1.556 1.00 0.00 H new ATOM 0 HD3 LYS A 26 2.048 -9.807 -3.080 1.00 0.00 H new ATOM 0 HE2 LYS A 26 0.781 -7.660 -4.044 1.00 0.00 H new ATOM 0 HE3 LYS A 26 1.394 -6.893 -2.593 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 3.385 -6.750 -3.512 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 3.450 -8.427 -3.770 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 2.768 -7.413 -4.948 1.00 0.00 H new ATOM 394 N GLN A 27 -2.699 -12.237 -2.799 1.00 0.00 N ATOM 395 CA GLN A 27 -2.876 -13.261 -3.815 1.00 0.00 C ATOM 396 C GLN A 27 -1.924 -13.016 -4.987 1.00 0.00 C ATOM 397 O GLN A 27 -1.427 -11.905 -5.166 1.00 0.00 O ATOM 398 CB GLN A 27 -4.329 -13.316 -4.290 1.00 0.00 C ATOM 399 CG GLN A 27 -4.946 -14.688 -4.011 1.00 0.00 C ATOM 400 CD GLN A 27 -5.620 -15.251 -5.264 1.00 0.00 C ATOM 401 OE1 GLN A 27 -5.161 -15.072 -6.380 1.00 0.00 O ATOM 402 NE2 GLN A 27 -6.731 -15.940 -5.018 1.00 0.00 N ATOM 0 H GLN A 27 -3.508 -11.632 -2.657 1.00 0.00 H new ATOM 0 HA GLN A 27 -2.636 -14.229 -3.374 1.00 0.00 H new ATOM 0 HB2 GLN A 27 -4.909 -12.543 -3.786 1.00 0.00 H new ATOM 0 HB3 GLN A 27 -4.374 -13.103 -5.358 1.00 0.00 H new ATOM 0 HG2 GLN A 27 -4.173 -15.376 -3.670 1.00 0.00 H new ATOM 0 HG3 GLN A 27 -5.677 -14.605 -3.207 1.00 0.00 H new ATOM 0 HE21 GLN A 27 -7.060 -16.052 -4.059 1.00 0.00 H new ATOM 0 HE22 GLN A 27 -7.254 -16.357 -5.788 1.00 0.00 H new ATOM 543 N LYS A 35 -1.509 -16.768 0.388 1.00 0.00 N ATOM 544 CA LYS A 35 -0.341 -16.682 1.248 1.00 0.00 C ATOM 545 C LYS A 35 -0.512 -15.511 2.218 1.00 0.00 C ATOM 546 O LYS A 35 -1.343 -14.632 1.994 1.00 0.00 O ATOM 547 CB LYS A 35 0.937 -16.604 0.410 1.00 0.00 C ATOM 548 CG LYS A 35 1.514 -17.999 0.160 1.00 0.00 C ATOM 549 CD LYS A 35 2.124 -18.097 -1.240 1.00 0.00 C ATOM 550 CE LYS A 35 3.625 -18.385 -1.165 1.00 0.00 C ATOM 551 NZ LYS A 35 4.244 -18.263 -2.503 1.00 0.00 N ATOM 0 HA LYS A 35 -0.245 -17.585 1.851 1.00 0.00 H new ATOM 0 HB2 LYS A 35 0.723 -16.119 -0.542 1.00 0.00 H new ATOM 0 HB3 LYS A 35 1.675 -15.988 0.923 1.00 0.00 H new ATOM 0 HG2 LYS A 35 2.275 -18.221 0.908 1.00 0.00 H new ATOM 0 HG3 LYS A 35 0.729 -18.747 0.272 1.00 0.00 H new ATOM 0 HD2 LYS A 35 1.626 -18.887 -1.803 1.00 0.00 H new ATOM 0 HD3 LYS A 35 1.955 -17.165 -1.780 1.00 0.00 H new ATOM 0 HE2 LYS A 35 4.100 -17.690 -0.473 1.00 0.00 H new ATOM 0 HE3 LYS A 35 3.789 -19.388 -0.772 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 5.262 -18.462 -2.434 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 3.802 -18.944 -3.153 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 4.103 -17.298 -2.864 1.00 0.00 H new ATOM 565 N VAL A 36 0.287 -15.537 3.274 1.00 0.00 N ATOM 566 CA VAL A 36 0.234 -14.488 4.278 1.00 0.00 C ATOM 567 C VAL A 36 1.478 -13.606 4.154 1.00 0.00 C ATOM 568 O VAL A 36 2.571 -14.102 3.884 1.00 0.00 O ATOM 569 CB VAL A 36 0.075 -15.104 5.670 1.00 0.00 C ATOM 570 CG1 VAL A 36 0.373 -14.076 6.762 1.00 0.00 C ATOM 571 CG2 VAL A 36 -1.322 -15.703 5.847 1.00 0.00 C ATOM 0 H VAL A 36 0.975 -16.268 3.456 1.00 0.00 H new ATOM 0 HA VAL A 36 -0.635 -13.850 4.118 1.00 0.00 H new ATOM 0 HB VAL A 36 0.801 -15.912 5.764 1.00 0.00 H new ATOM 0 HG11 VAL A 36 0.253 -14.540 7.741 1.00 0.00 H new ATOM 0 HG12 VAL A 36 1.396 -13.717 6.654 1.00 0.00 H new ATOM 0 HG13 VAL A 36 -0.317 -13.237 6.670 1.00 0.00 H new ATOM 0 HG21 VAL A 36 -1.409 -16.134 6.844 1.00 0.00 H new ATOM 0 HG22 VAL A 36 -2.071 -14.921 5.723 1.00 0.00 H new ATOM 0 HG23 VAL A 36 -1.482 -16.481 5.100 1.00 0.00 H new ATOM 581 N ARG A 37 1.270 -12.313 4.358 1.00 0.00 N ATOM 582 CA ARG A 37 2.361 -11.358 4.272 1.00 0.00 C ATOM 583 C ARG A 37 2.029 -10.100 5.078 1.00 0.00 C ATOM 584 O ARG A 37 0.862 -9.739 5.220 1.00 0.00 O ATOM 585 CB ARG A 37 2.638 -10.966 2.819 1.00 0.00 C ATOM 586 CG ARG A 37 4.097 -11.238 2.447 1.00 0.00 C ATOM 587 CD ARG A 37 4.199 -12.368 1.420 1.00 0.00 C ATOM 588 NE ARG A 37 4.778 -11.854 0.158 1.00 0.00 N ATOM 589 CZ ARG A 37 5.231 -12.634 -0.832 1.00 0.00 C ATOM 590 NH1 ARG A 37 5.176 -13.968 -0.714 1.00 0.00 N ATOM 591 NH2 ARG A 37 5.740 -12.081 -1.941 1.00 0.00 N ATOM 0 H ARG A 37 0.362 -11.905 4.582 1.00 0.00 H new ATOM 0 HA ARG A 37 3.251 -11.834 4.683 1.00 0.00 H new ATOM 0 HB2 ARG A 37 1.979 -11.526 2.155 1.00 0.00 H new ATOM 0 HB3 ARG A 37 2.413 -9.909 2.674 1.00 0.00 H new ATOM 0 HG2 ARG A 37 4.548 -10.332 2.042 1.00 0.00 H new ATOM 0 HG3 ARG A 37 4.661 -11.503 3.341 1.00 0.00 H new ATOM 0 HD2 ARG A 37 4.820 -13.173 1.813 1.00 0.00 H new ATOM 0 HD3 ARG A 37 3.212 -12.790 1.232 1.00 0.00 H new ATOM 0 HE ARG A 37 4.835 -10.843 0.035 1.00 0.00 H new ATOM 0 HH11 ARG A 37 4.789 -14.390 0.130 1.00 0.00 H new ATOM 0 HH12 ARG A 37 5.521 -14.561 -1.468 1.00 0.00 H new ATOM 0 HH21 ARG A 37 5.783 -11.066 -2.031 1.00 0.00 H new ATOM 0 HH22 ARG A 37 6.085 -12.675 -2.695 1.00 0.00 H new ATOM 605 N LYS A 38 3.077 -9.466 5.584 1.00 0.00 N ATOM 606 CA LYS A 38 2.911 -8.256 6.371 1.00 0.00 C ATOM 607 C LYS A 38 2.712 -7.065 5.432 1.00 0.00 C ATOM 608 O LYS A 38 3.337 -6.992 4.375 1.00 0.00 O ATOM 609 CB LYS A 38 4.081 -8.085 7.343 1.00 0.00 C ATOM 610 CG LYS A 38 4.008 -6.733 8.055 1.00 0.00 C ATOM 611 CD LYS A 38 4.407 -6.866 9.526 1.00 0.00 C ATOM 612 CE LYS A 38 4.976 -5.550 10.061 1.00 0.00 C ATOM 613 NZ LYS A 38 6.450 -5.532 9.933 1.00 0.00 N ATOM 0 H LYS A 38 4.044 -9.768 5.464 1.00 0.00 H new ATOM 0 HA LYS A 38 2.018 -8.325 6.992 1.00 0.00 H new ATOM 0 HB2 LYS A 38 4.068 -8.889 8.079 1.00 0.00 H new ATOM 0 HB3 LYS A 38 5.023 -8.164 6.801 1.00 0.00 H new ATOM 0 HG2 LYS A 38 4.667 -6.021 7.559 1.00 0.00 H new ATOM 0 HG3 LYS A 38 2.996 -6.334 7.984 1.00 0.00 H new ATOM 0 HD2 LYS A 38 3.539 -7.158 10.117 1.00 0.00 H new ATOM 0 HD3 LYS A 38 5.148 -7.658 9.635 1.00 0.00 H new ATOM 0 HE2 LYS A 38 4.547 -4.712 9.512 1.00 0.00 H new ATOM 0 HE3 LYS A 38 4.694 -5.424 11.106 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 6.819 -4.632 10.301 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 6.855 -6.321 10.477 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 6.713 -5.631 8.932 1.00 0.00 H new ATOM 627 N PHE A 39 1.840 -6.161 5.852 1.00 0.00 N ATOM 628 CA PHE A 39 1.550 -4.976 5.062 1.00 0.00 C ATOM 629 C PHE A 39 1.495 -3.728 5.945 1.00 0.00 C ATOM 630 O PHE A 39 0.714 -3.669 6.894 1.00 0.00 O ATOM 631 CB PHE A 39 0.180 -5.192 4.417 1.00 0.00 C ATOM 632 CG PHE A 39 0.237 -5.858 3.041 1.00 0.00 C ATOM 633 CD1 PHE A 39 0.241 -7.214 2.941 1.00 0.00 C ATOM 634 CD2 PHE A 39 0.284 -5.093 1.917 1.00 0.00 C ATOM 635 CE1 PHE A 39 0.295 -7.832 1.664 1.00 0.00 C ATOM 636 CE2 PHE A 39 0.337 -5.711 0.640 1.00 0.00 C ATOM 637 CZ PHE A 39 0.341 -7.068 0.540 1.00 0.00 C ATOM 0 H PHE A 39 1.324 -6.225 6.730 1.00 0.00 H new ATOM 0 HA PHE A 39 2.331 -4.826 4.316 1.00 0.00 H new ATOM 0 HB2 PHE A 39 -0.430 -5.805 5.081 1.00 0.00 H new ATOM 0 HB3 PHE A 39 -0.321 -4.229 4.322 1.00 0.00 H new ATOM 0 HD1 PHE A 39 0.203 -7.821 3.833 1.00 0.00 H new ATOM 0 HD2 PHE A 39 0.281 -4.016 1.996 1.00 0.00 H new ATOM 0 HE1 PHE A 39 0.300 -8.909 1.585 1.00 0.00 H new ATOM 0 HE2 PHE A 39 0.374 -5.104 -0.252 1.00 0.00 H new ATOM 0 HZ PHE A 39 0.381 -7.538 -0.432 1.00 0.00 H new ATOM 647 N ILE A 40 2.332 -2.761 5.601 1.00 0.00 N ATOM 648 CA ILE A 40 2.388 -1.517 6.351 1.00 0.00 C ATOM 649 C ILE A 40 2.036 -0.352 5.424 1.00 0.00 C ATOM 650 O ILE A 40 2.590 -0.232 4.333 1.00 0.00 O ATOM 651 CB ILE A 40 3.747 -1.367 7.038 1.00 0.00 C ATOM 652 CG1 ILE A 40 4.033 -2.559 7.953 1.00 0.00 C ATOM 653 CG2 ILE A 40 3.838 -0.036 7.786 1.00 0.00 C ATOM 654 CD1 ILE A 40 5.496 -2.567 8.402 1.00 0.00 C ATOM 0 H ILE A 40 2.977 -2.813 4.813 1.00 0.00 H new ATOM 0 HA ILE A 40 1.650 -1.522 7.153 1.00 0.00 H new ATOM 0 HB ILE A 40 4.520 -1.358 6.269 1.00 0.00 H new ATOM 0 HG12 ILE A 40 3.381 -2.517 8.826 1.00 0.00 H new ATOM 0 HG13 ILE A 40 3.805 -3.487 7.429 1.00 0.00 H new ATOM 0 HG21 ILE A 40 4.813 0.046 8.265 1.00 0.00 H new ATOM 0 HG22 ILE A 40 3.709 0.786 7.082 1.00 0.00 H new ATOM 0 HG23 ILE A 40 3.056 0.010 8.544 1.00 0.00 H new ATOM 0 HD11 ILE A 40 5.673 -3.424 9.051 1.00 0.00 H new ATOM 0 HD12 ILE A 40 6.144 -2.634 7.528 1.00 0.00 H new ATOM 0 HD13 ILE A 40 5.715 -1.648 8.947 1.00 0.00 H new ATOM 666 N LEU A 41 1.115 0.477 5.893 1.00 0.00 N ATOM 667 CA LEU A 41 0.682 1.629 5.120 1.00 0.00 C ATOM 668 C LEU A 41 1.236 2.904 5.759 1.00 0.00 C ATOM 669 O LEU A 41 1.209 3.053 6.980 1.00 0.00 O ATOM 670 CB LEU A 41 -0.840 1.629 4.966 1.00 0.00 C ATOM 671 CG LEU A 41 -1.444 2.854 4.276 1.00 0.00 C ATOM 672 CD1 LEU A 41 -1.199 2.810 2.767 1.00 0.00 C ATOM 673 CD2 LEU A 41 -2.931 2.995 4.612 1.00 0.00 C ATOM 0 H LEU A 41 0.657 0.374 6.798 1.00 0.00 H new ATOM 0 HA LEU A 41 1.082 1.580 4.107 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -1.128 0.741 4.404 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -1.286 1.538 5.957 1.00 0.00 H new ATOM 0 HG LEU A 41 -0.942 3.743 4.657 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -1.638 3.692 2.301 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -0.127 2.793 2.573 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -1.657 1.913 2.350 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -3.336 3.873 4.109 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -3.466 2.106 4.277 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -3.052 3.106 5.690 1.00 0.00 H new ATOM 685 N ARG A 42 1.725 3.791 4.905 1.00 0.00 N ATOM 686 CA ARG A 42 2.284 5.049 5.371 1.00 0.00 C ATOM 687 C ARG A 42 1.871 6.191 4.440 1.00 0.00 C ATOM 688 O ARG A 42 2.104 6.128 3.234 1.00 0.00 O ATOM 689 CB ARG A 42 3.811 4.982 5.437 1.00 0.00 C ATOM 690 CG ARG A 42 4.410 4.736 4.051 1.00 0.00 C ATOM 691 CD ARG A 42 5.396 3.566 4.079 1.00 0.00 C ATOM 692 NE ARG A 42 6.354 3.738 5.194 1.00 0.00 N ATOM 693 CZ ARG A 42 7.139 2.761 5.667 1.00 0.00 C ATOM 694 NH1 ARG A 42 7.084 1.536 5.127 1.00 0.00 N ATOM 695 NH2 ARG A 42 7.979 3.009 6.682 1.00 0.00 N ATOM 0 H ARG A 42 1.746 3.664 3.893 1.00 0.00 H new ATOM 0 HA ARG A 42 1.896 5.233 6.373 1.00 0.00 H new ATOM 0 HB2 ARG A 42 4.202 5.914 5.846 1.00 0.00 H new ATOM 0 HB3 ARG A 42 4.115 4.184 6.115 1.00 0.00 H new ATOM 0 HG2 ARG A 42 3.612 4.527 3.338 1.00 0.00 H new ATOM 0 HG3 ARG A 42 4.918 5.636 3.706 1.00 0.00 H new ATOM 0 HD2 ARG A 42 4.855 2.627 4.195 1.00 0.00 H new ATOM 0 HD3 ARG A 42 5.933 3.510 3.132 1.00 0.00 H new ATOM 0 HE ARG A 42 6.421 4.658 5.629 1.00 0.00 H new ATOM 0 HH11 ARG A 42 6.444 1.347 4.355 1.00 0.00 H new ATOM 0 HH12 ARG A 42 7.682 0.792 5.487 1.00 0.00 H new ATOM 0 HH21 ARG A 42 8.020 3.941 7.094 1.00 0.00 H new ATOM 0 HH22 ARG A 42 8.577 2.265 7.042 1.00 0.00 H new ATOM 709 N GLU A 43 1.265 7.207 5.036 1.00 0.00 N ATOM 710 CA GLU A 43 0.817 8.361 4.275 1.00 0.00 C ATOM 711 C GLU A 43 1.814 9.513 4.422 1.00 0.00 C ATOM 712 O GLU A 43 2.377 9.718 5.496 1.00 0.00 O ATOM 713 CB GLU A 43 -0.586 8.792 4.707 1.00 0.00 C ATOM 714 CG GLU A 43 -0.608 9.185 6.185 1.00 0.00 C ATOM 715 CD GLU A 43 -1.082 10.629 6.362 1.00 0.00 C ATOM 716 OE1 GLU A 43 -2.002 11.020 5.612 1.00 0.00 O ATOM 717 OE2 GLU A 43 -0.512 11.310 7.242 1.00 0.00 O ATOM 0 H GLU A 43 1.074 7.255 6.037 1.00 0.00 H new ATOM 0 HA GLU A 43 0.767 8.081 3.223 1.00 0.00 H new ATOM 0 HB2 GLU A 43 -0.915 9.634 4.098 1.00 0.00 H new ATOM 0 HB3 GLU A 43 -1.290 7.978 4.533 1.00 0.00 H new ATOM 0 HG2 GLU A 43 -1.267 8.512 6.734 1.00 0.00 H new ATOM 0 HG3 GLU A 43 0.389 9.071 6.610 1.00 0.00 H new ATOM 724 N ASP A 44 2.000 10.235 3.327 1.00 0.00 N ATOM 725 CA ASP A 44 2.919 11.361 3.321 1.00 0.00 C ATOM 726 C ASP A 44 4.293 10.895 3.805 1.00 0.00 C ATOM 727 O ASP A 44 4.678 11.163 4.942 1.00 0.00 O ATOM 728 CB ASP A 44 2.438 12.470 4.259 1.00 0.00 C ATOM 729 CG ASP A 44 0.979 12.891 4.068 1.00 0.00 C ATOM 730 OD1 ASP A 44 0.111 12.210 4.657 1.00 0.00 O ATOM 731 OD2 ASP A 44 0.765 13.883 3.339 1.00 0.00 O ATOM 0 H ASP A 44 1.530 10.063 2.438 1.00 0.00 H new ATOM 0 HA ASP A 44 2.972 11.748 2.303 1.00 0.00 H new ATOM 0 HB2 ASP A 44 2.573 12.138 5.289 1.00 0.00 H new ATOM 0 HB3 ASP A 44 3.074 13.344 4.120 1.00 0.00 H new ATOM 736 N PRO A 45 5.014 10.187 2.895 1.00 0.00 N ATOM 737 CA PRO A 45 4.484 9.914 1.570 1.00 0.00 C ATOM 738 C PRO A 45 3.413 8.822 1.622 1.00 0.00 C ATOM 739 O PRO A 45 3.245 8.161 2.646 1.00 0.00 O ATOM 740 CB PRO A 45 5.692 9.521 0.736 1.00 0.00 C ATOM 741 CG PRO A 45 6.778 9.138 1.730 1.00 0.00 C ATOM 742 CD PRO A 45 6.348 9.630 3.102 1.00 0.00 C ATOM 0 HA PRO A 45 3.979 10.776 1.134 1.00 0.00 H new ATOM 0 HB2 PRO A 45 5.456 8.687 0.075 1.00 0.00 H new ATOM 0 HB3 PRO A 45 6.015 10.348 0.103 1.00 0.00 H new ATOM 0 HG2 PRO A 45 6.923 8.058 1.740 1.00 0.00 H new ATOM 0 HG3 PRO A 45 7.731 9.585 1.446 1.00 0.00 H new ATOM 0 HD2 PRO A 45 6.329 8.816 3.827 1.00 0.00 H new ATOM 0 HD3 PRO A 45 7.036 10.383 3.486 1.00 0.00 H new ATOM 750 N ALA A 46 2.716 8.668 0.506 1.00 0.00 N ATOM 751 CA ALA A 46 1.666 7.668 0.412 1.00 0.00 C ATOM 752 C ALA A 46 2.223 6.412 -0.261 1.00 0.00 C ATOM 753 O ALA A 46 2.353 6.363 -1.483 1.00 0.00 O ATOM 754 CB ALA A 46 0.471 8.252 -0.343 1.00 0.00 C ATOM 0 H ALA A 46 2.858 9.219 -0.341 1.00 0.00 H new ATOM 0 HA ALA A 46 1.317 7.383 1.405 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -0.317 7.502 -0.414 1.00 0.00 H new ATOM 0 HB2 ALA A 46 0.094 9.125 0.191 1.00 0.00 H new ATOM 0 HB3 ALA A 46 0.782 8.546 -1.345 1.00 0.00 H new ATOM 760 N TYR A 47 2.536 5.425 0.567 1.00 0.00 N ATOM 761 CA TYR A 47 3.076 4.172 0.067 1.00 0.00 C ATOM 762 C TYR A 47 2.678 3.004 0.972 1.00 0.00 C ATOM 763 O TYR A 47 2.313 3.207 2.129 1.00 0.00 O ATOM 764 CB TYR A 47 4.598 4.328 0.094 1.00 0.00 C ATOM 765 CG TYR A 47 5.188 4.900 -1.196 1.00 0.00 C ATOM 766 CD1 TYR A 47 5.058 4.206 -2.382 1.00 0.00 C ATOM 767 CD2 TYR A 47 5.852 6.110 -1.174 1.00 0.00 C ATOM 768 CE1 TYR A 47 5.613 4.744 -3.596 1.00 0.00 C ATOM 769 CE2 TYR A 47 6.407 6.648 -2.389 1.00 0.00 C ATOM 770 CZ TYR A 47 6.261 5.938 -3.540 1.00 0.00 C ATOM 771 OH TYR A 47 6.786 6.447 -4.687 1.00 0.00 O ATOM 0 H TYR A 47 2.426 5.468 1.580 1.00 0.00 H new ATOM 0 HA TYR A 47 2.695 3.961 -0.932 1.00 0.00 H new ATOM 0 HB2 TYR A 47 4.872 4.977 0.926 1.00 0.00 H new ATOM 0 HB3 TYR A 47 5.049 3.355 0.288 1.00 0.00 H new ATOM 0 HD1 TYR A 47 4.540 3.259 -2.399 1.00 0.00 H new ATOM 0 HD2 TYR A 47 5.955 6.653 -0.246 1.00 0.00 H new ATOM 0 HE1 TYR A 47 5.517 4.211 -4.531 1.00 0.00 H new ATOM 0 HE2 TYR A 47 6.928 7.594 -2.386 1.00 0.00 H new ATOM 0 HH TYR A 47 7.218 7.305 -4.496 1.00 0.00 H new ATOM 781 N LEU A 48 2.763 1.807 0.411 1.00 0.00 N ATOM 782 CA LEU A 48 2.417 0.607 1.152 1.00 0.00 C ATOM 783 C LEU A 48 3.546 -0.416 1.015 1.00 0.00 C ATOM 784 O LEU A 48 3.758 -0.971 -0.063 1.00 0.00 O ATOM 785 CB LEU A 48 1.051 0.079 0.709 1.00 0.00 C ATOM 786 CG LEU A 48 0.691 -1.331 1.183 1.00 0.00 C ATOM 787 CD1 LEU A 48 1.392 -2.392 0.333 1.00 0.00 C ATOM 788 CD2 LEU A 48 0.991 -1.501 2.674 1.00 0.00 C ATOM 0 H LEU A 48 3.067 1.643 -0.549 1.00 0.00 H new ATOM 0 HA LEU A 48 2.317 0.831 2.214 1.00 0.00 H new ATOM 0 HB2 LEU A 48 0.285 0.767 1.065 1.00 0.00 H new ATOM 0 HB3 LEU A 48 1.013 0.096 -0.380 1.00 0.00 H new ATOM 0 HG LEU A 48 -0.382 -1.472 1.052 1.00 0.00 H new ATOM 0 HD11 LEU A 48 1.119 -3.384 0.692 1.00 0.00 H new ATOM 0 HD12 LEU A 48 1.086 -2.285 -0.708 1.00 0.00 H new ATOM 0 HD13 LEU A 48 2.472 -2.264 0.409 1.00 0.00 H new ATOM 0 HD21 LEU A 48 0.726 -2.511 2.986 1.00 0.00 H new ATOM 0 HD22 LEU A 48 2.053 -1.333 2.853 1.00 0.00 H new ATOM 0 HD23 LEU A 48 0.408 -0.780 3.247 1.00 0.00 H new ATOM 800 N HIS A 49 4.241 -0.635 2.121 1.00 0.00 N ATOM 801 CA HIS A 49 5.344 -1.582 2.137 1.00 0.00 C ATOM 802 C HIS A 49 4.914 -2.857 2.864 1.00 0.00 C ATOM 803 O HIS A 49 4.223 -2.794 3.880 1.00 0.00 O ATOM 804 CB HIS A 49 6.596 -0.947 2.744 1.00 0.00 C ATOM 805 CG HIS A 49 7.221 0.124 1.882 1.00 0.00 C ATOM 806 ND1 HIS A 49 6.690 1.397 1.764 1.00 0.00 N ATOM 807 CD2 HIS A 49 8.337 0.099 1.098 1.00 0.00 C ATOM 808 CE1 HIS A 49 7.459 2.097 0.944 1.00 0.00 C ATOM 809 NE2 HIS A 49 8.479 1.291 0.532 1.00 0.00 N ATOM 0 H HIS A 49 4.062 -0.173 3.013 1.00 0.00 H new ATOM 0 HA HIS A 49 5.606 -1.858 1.116 1.00 0.00 H new ATOM 0 HB2 HIS A 49 6.340 -0.516 3.712 1.00 0.00 H new ATOM 0 HB3 HIS A 49 7.334 -1.728 2.928 1.00 0.00 H new ATOM 0 HD2 HIS A 49 8.994 -0.747 0.961 1.00 0.00 H new ATOM 0 HE1 HIS A 49 7.305 3.126 0.653 1.00 0.00 H new ATOM 0 HE2 HIS A 49 9.228 1.560 -0.106 1.00 0.00 H new ATOM 817 N TYR A 50 5.340 -3.985 2.315 1.00 0.00 N ATOM 818 CA TYR A 50 5.008 -5.274 2.899 1.00 0.00 C ATOM 819 C TYR A 50 6.270 -6.098 3.162 1.00 0.00 C ATOM 820 O TYR A 50 7.265 -5.961 2.452 1.00 0.00 O ATOM 821 CB TYR A 50 4.147 -5.998 1.862 1.00 0.00 C ATOM 822 CG TYR A 50 4.642 -5.839 0.423 1.00 0.00 C ATOM 823 CD1 TYR A 50 4.463 -4.642 -0.241 1.00 0.00 C ATOM 824 CD2 TYR A 50 5.268 -6.893 -0.212 1.00 0.00 C ATOM 825 CE1 TYR A 50 4.929 -4.492 -1.595 1.00 0.00 C ATOM 826 CE2 TYR A 50 5.733 -6.743 -1.567 1.00 0.00 C ATOM 827 CZ TYR A 50 5.541 -5.550 -2.191 1.00 0.00 C ATOM 828 OH TYR A 50 5.981 -5.409 -3.470 1.00 0.00 O ATOM 0 H TYR A 50 5.912 -4.033 1.472 1.00 0.00 H new ATOM 0 HA TYR A 50 4.494 -5.143 3.851 1.00 0.00 H new ATOM 0 HB2 TYR A 50 4.114 -7.059 2.109 1.00 0.00 H new ATOM 0 HB3 TYR A 50 3.125 -5.624 1.928 1.00 0.00 H new ATOM 0 HD1 TYR A 50 3.973 -3.817 0.256 1.00 0.00 H new ATOM 0 HD2 TYR A 50 5.409 -7.830 0.307 1.00 0.00 H new ATOM 0 HE1 TYR A 50 4.796 -3.561 -2.125 1.00 0.00 H new ATOM 0 HE2 TYR A 50 6.223 -7.560 -2.076 1.00 0.00 H new ATOM 0 HH TYR A 50 6.399 -6.245 -3.766 1.00 0.00 H new ATOM 838 N TYR A 51 6.188 -6.937 4.184 1.00 0.00 N ATOM 839 CA TYR A 51 7.311 -7.784 4.550 1.00 0.00 C ATOM 840 C TYR A 51 6.847 -9.211 4.849 1.00 0.00 C ATOM 841 O TYR A 51 5.659 -9.450 5.060 1.00 0.00 O ATOM 842 CB TYR A 51 7.902 -7.174 5.823 1.00 0.00 C ATOM 843 CG TYR A 51 8.027 -5.650 5.783 1.00 0.00 C ATOM 844 CD1 TYR A 51 6.893 -4.864 5.774 1.00 0.00 C ATOM 845 CD2 TYR A 51 9.275 -5.061 5.755 1.00 0.00 C ATOM 846 CE1 TYR A 51 7.011 -3.429 5.737 1.00 0.00 C ATOM 847 CE2 TYR A 51 9.393 -3.626 5.717 1.00 0.00 C ATOM 848 CZ TYR A 51 8.255 -2.881 5.710 1.00 0.00 C ATOM 849 OH TYR A 51 8.367 -1.526 5.674 1.00 0.00 O ATOM 0 H TYR A 51 5.361 -7.049 4.771 1.00 0.00 H new ATOM 0 HA TYR A 51 8.035 -7.835 3.736 1.00 0.00 H new ATOM 0 HB2 TYR A 51 7.278 -7.455 6.672 1.00 0.00 H new ATOM 0 HB3 TYR A 51 8.888 -7.605 5.996 1.00 0.00 H new ATOM 0 HD1 TYR A 51 5.917 -5.325 5.795 1.00 0.00 H new ATOM 0 HD2 TYR A 51 10.163 -5.676 5.762 1.00 0.00 H new ATOM 0 HE1 TYR A 51 6.131 -2.803 5.731 1.00 0.00 H new ATOM 0 HE2 TYR A 51 10.363 -3.152 5.695 1.00 0.00 H new ATOM 0 HH TYR A 51 9.285 -1.268 5.898 1.00 0.00 H new ATOM 859 N ASP A 52 7.809 -10.122 4.859 1.00 0.00 N ATOM 860 CA ASP A 52 7.514 -11.518 5.129 1.00 0.00 C ATOM 861 C ASP A 52 7.239 -11.697 6.624 1.00 0.00 C ATOM 862 O ASP A 52 7.910 -11.092 7.459 1.00 0.00 O ATOM 863 CB ASP A 52 8.698 -12.413 4.756 1.00 0.00 C ATOM 864 CG ASP A 52 8.629 -13.839 5.306 1.00 0.00 C ATOM 865 OD1 ASP A 52 7.967 -14.670 4.648 1.00 0.00 O ATOM 866 OD2 ASP A 52 9.240 -14.066 6.373 1.00 0.00 O ATOM 0 H ASP A 52 8.793 -9.920 4.684 1.00 0.00 H new ATOM 0 HA ASP A 52 6.646 -11.801 4.533 1.00 0.00 H new ATOM 0 HB2 ASP A 52 8.769 -12.462 3.669 1.00 0.00 H new ATOM 0 HB3 ASP A 52 9.615 -11.945 5.115 1.00 0.00 H new ATOM 871 N PRO A 53 6.226 -12.553 6.923 1.00 0.00 N ATOM 872 CA PRO A 53 5.854 -12.819 8.303 1.00 0.00 C ATOM 873 C PRO A 53 6.875 -13.737 8.978 1.00 0.00 C ATOM 874 O PRO A 53 7.224 -13.534 10.141 1.00 0.00 O ATOM 875 CB PRO A 53 4.465 -13.432 8.224 1.00 0.00 C ATOM 876 CG PRO A 53 4.302 -13.913 6.792 1.00 0.00 C ATOM 877 CD PRO A 53 5.410 -13.288 5.961 1.00 0.00 C ATOM 0 HA PRO A 53 5.843 -11.919 8.918 1.00 0.00 H new ATOM 0 HB2 PRO A 53 4.362 -14.258 8.927 1.00 0.00 H new ATOM 0 HB3 PRO A 53 3.700 -12.699 8.479 1.00 0.00 H new ATOM 0 HG2 PRO A 53 4.358 -15.001 6.746 1.00 0.00 H new ATOM 0 HG3 PRO A 53 3.325 -13.627 6.402 1.00 0.00 H new ATOM 0 HD2 PRO A 53 5.995 -14.049 5.445 1.00 0.00 H new ATOM 0 HD3 PRO A 53 5.005 -12.625 5.197 1.00 0.00 H new ATOM 885 N ALA A 54 7.326 -14.726 8.221 1.00 0.00 N ATOM 886 CA ALA A 54 8.300 -15.676 8.733 1.00 0.00 C ATOM 887 C ALA A 54 9.424 -14.916 9.440 1.00 0.00 C ATOM 888 O ALA A 54 9.866 -15.314 10.516 1.00 0.00 O ATOM 889 CB ALA A 54 8.816 -16.546 7.585 1.00 0.00 C ATOM 0 H ALA A 54 7.035 -14.891 7.257 1.00 0.00 H new ATOM 0 HA ALA A 54 7.841 -16.341 9.465 1.00 0.00 H new ATOM 0 HB1 ALA A 54 9.546 -17.259 7.968 1.00 0.00 H new ATOM 0 HB2 ALA A 54 7.983 -17.087 7.135 1.00 0.00 H new ATOM 0 HB3 ALA A 54 9.287 -15.914 6.832 1.00 0.00 H new ATOM 895 N GLY A 55 9.854 -13.835 8.805 1.00 0.00 N ATOM 896 CA GLY A 55 10.918 -13.016 9.360 1.00 0.00 C ATOM 897 C GLY A 55 11.858 -12.518 8.260 1.00 0.00 C ATOM 898 O GLY A 55 12.310 -13.299 7.424 1.00 0.00 O ATOM 0 H GLY A 55 9.485 -13.508 7.912 1.00 0.00 H new ATOM 0 HA2 GLY A 55 10.488 -12.165 9.889 1.00 0.00 H new ATOM 0 HA3 GLY A 55 11.483 -13.594 10.092 1.00 0.00 H new ATOM 902 N ALA A 56 12.124 -11.220 8.295 1.00 0.00 N ATOM 903 CA ALA A 56 13.001 -10.609 7.311 1.00 0.00 C ATOM 904 C ALA A 56 13.495 -9.262 7.842 1.00 0.00 C ATOM 905 O ALA A 56 13.439 -9.006 9.043 1.00 0.00 O ATOM 906 CB ALA A 56 12.260 -10.475 5.979 1.00 0.00 C ATOM 0 H ALA A 56 11.747 -10.575 8.990 1.00 0.00 H new ATOM 0 HA ALA A 56 13.876 -11.235 7.135 1.00 0.00 H new ATOM 0 HB1 ALA A 56 12.918 -10.017 5.241 1.00 0.00 H new ATOM 0 HB2 ALA A 56 11.956 -11.462 5.631 1.00 0.00 H new ATOM 0 HB3 ALA A 56 11.377 -9.851 6.115 1.00 0.00 H new ATOM 912 N GLU A 57 13.968 -8.437 6.920 1.00 0.00 N ATOM 913 CA GLU A 57 14.472 -7.122 7.280 1.00 0.00 C ATOM 914 C GLU A 57 13.815 -6.046 6.413 1.00 0.00 C ATOM 915 O GLU A 57 13.111 -5.176 6.924 1.00 0.00 O ATOM 916 CB GLU A 57 15.996 -7.067 7.160 1.00 0.00 C ATOM 917 CG GLU A 57 16.651 -8.184 7.975 1.00 0.00 C ATOM 918 CD GLU A 57 16.597 -7.873 9.472 1.00 0.00 C ATOM 919 OE1 GLU A 57 17.337 -6.955 9.888 1.00 0.00 O ATOM 920 OE2 GLU A 57 15.818 -8.560 10.167 1.00 0.00 O ATOM 0 H GLU A 57 14.013 -8.653 5.924 1.00 0.00 H new ATOM 0 HA GLU A 57 14.215 -6.929 8.322 1.00 0.00 H new ATOM 0 HB2 GLU A 57 16.285 -7.158 6.113 1.00 0.00 H new ATOM 0 HB3 GLU A 57 16.357 -6.099 7.507 1.00 0.00 H new ATOM 0 HG2 GLU A 57 16.144 -9.129 7.777 1.00 0.00 H new ATOM 0 HG3 GLU A 57 17.688 -8.307 7.663 1.00 0.00 H new ATOM 927 N ASP A 58 14.068 -6.140 5.116 1.00 0.00 N ATOM 928 CA ASP A 58 13.509 -5.186 4.173 1.00 0.00 C ATOM 929 C ASP A 58 12.201 -5.741 3.607 1.00 0.00 C ATOM 930 O ASP A 58 12.018 -6.955 3.532 1.00 0.00 O ATOM 931 CB ASP A 58 14.465 -4.943 3.004 1.00 0.00 C ATOM 932 CG ASP A 58 15.142 -6.198 2.450 1.00 0.00 C ATOM 933 OD1 ASP A 58 14.480 -6.892 1.647 1.00 0.00 O ATOM 934 OD2 ASP A 58 16.305 -6.436 2.841 1.00 0.00 O ATOM 0 H ASP A 58 14.653 -6.862 4.696 1.00 0.00 H new ATOM 0 HA ASP A 58 13.341 -4.248 4.702 1.00 0.00 H new ATOM 0 HB2 ASP A 58 13.913 -4.460 2.197 1.00 0.00 H new ATOM 0 HB3 ASP A 58 15.237 -4.244 3.325 1.00 0.00 H new ATOM 939 N PRO A 59 11.301 -4.801 3.211 1.00 0.00 N ATOM 940 CA PRO A 59 10.015 -5.184 2.653 1.00 0.00 C ATOM 941 C PRO A 59 10.169 -5.690 1.218 1.00 0.00 C ATOM 942 O PRO A 59 10.865 -5.077 0.411 1.00 0.00 O ATOM 943 CB PRO A 59 9.155 -3.934 2.754 1.00 0.00 C ATOM 944 CG PRO A 59 10.123 -2.775 2.931 1.00 0.00 C ATOM 945 CD PRO A 59 11.483 -3.354 3.284 1.00 0.00 C ATOM 0 HA PRO A 59 9.553 -6.013 3.189 1.00 0.00 H new ATOM 0 HB2 PRO A 59 8.549 -3.803 1.857 1.00 0.00 H new ATOM 0 HB3 PRO A 59 8.467 -4.000 3.597 1.00 0.00 H new ATOM 0 HG2 PRO A 59 10.185 -2.186 2.016 1.00 0.00 H new ATOM 0 HG3 PRO A 59 9.777 -2.105 3.718 1.00 0.00 H new ATOM 0 HD2 PRO A 59 12.250 -3.016 2.587 1.00 0.00 H new ATOM 0 HD3 PRO A 59 11.799 -3.044 4.280 1.00 0.00 H new ATOM 953 N LEU A 60 9.507 -6.805 0.944 1.00 0.00 N ATOM 954 CA LEU A 60 9.561 -7.401 -0.380 1.00 0.00 C ATOM 955 C LEU A 60 9.509 -6.294 -1.436 1.00 0.00 C ATOM 956 O LEU A 60 10.292 -6.299 -2.384 1.00 0.00 O ATOM 957 CB LEU A 60 8.463 -8.454 -0.539 1.00 0.00 C ATOM 958 CG LEU A 60 8.361 -9.491 0.581 1.00 0.00 C ATOM 959 CD1 LEU A 60 9.726 -9.737 1.227 1.00 0.00 C ATOM 960 CD2 LEU A 60 7.305 -9.083 1.611 1.00 0.00 C ATOM 0 H LEU A 60 8.931 -7.311 1.616 1.00 0.00 H new ATOM 0 HA LEU A 60 10.503 -7.932 -0.520 1.00 0.00 H new ATOM 0 HB2 LEU A 60 7.505 -7.941 -0.621 1.00 0.00 H new ATOM 0 HB3 LEU A 60 8.625 -8.980 -1.480 1.00 0.00 H new ATOM 0 HG LEU A 60 8.037 -10.435 0.144 1.00 0.00 H new ATOM 0 HD11 LEU A 60 9.625 -10.478 2.020 1.00 0.00 H new ATOM 0 HD12 LEU A 60 10.424 -10.104 0.474 1.00 0.00 H new ATOM 0 HD13 LEU A 60 10.103 -8.805 1.648 1.00 0.00 H new ATOM 0 HD21 LEU A 60 7.252 -9.837 2.396 1.00 0.00 H new ATOM 0 HD22 LEU A 60 7.575 -8.122 2.048 1.00 0.00 H new ATOM 0 HD23 LEU A 60 6.334 -8.999 1.123 1.00 0.00 H new ATOM 972 N GLY A 61 8.579 -5.372 -1.235 1.00 0.00 N ATOM 973 CA GLY A 61 8.415 -4.262 -2.157 1.00 0.00 C ATOM 974 C GLY A 61 7.430 -3.230 -1.604 1.00 0.00 C ATOM 975 O GLY A 61 7.130 -3.231 -0.410 1.00 0.00 O ATOM 0 H GLY A 61 7.931 -5.371 -0.447 1.00 0.00 H new ATOM 0 HA2 GLY A 61 9.380 -3.789 -2.337 1.00 0.00 H new ATOM 0 HA3 GLY A 61 8.058 -4.633 -3.118 1.00 0.00 H new ATOM 979 N ALA A 62 6.953 -2.375 -2.497 1.00 0.00 N ATOM 980 CA ALA A 62 6.008 -1.341 -2.112 1.00 0.00 C ATOM 981 C ALA A 62 5.000 -1.131 -3.243 1.00 0.00 C ATOM 982 O ALA A 62 5.240 -1.542 -4.378 1.00 0.00 O ATOM 983 CB ALA A 62 6.768 -0.059 -1.764 1.00 0.00 C ATOM 0 H ALA A 62 7.203 -2.377 -3.486 1.00 0.00 H new ATOM 0 HA ALA A 62 5.451 -1.642 -1.225 1.00 0.00 H new ATOM 0 HB1 ALA A 62 6.059 0.717 -1.475 1.00 0.00 H new ATOM 0 HB2 ALA A 62 7.450 -0.254 -0.936 1.00 0.00 H new ATOM 0 HB3 ALA A 62 7.337 0.274 -2.632 1.00 0.00 H new ATOM 989 N ILE A 63 3.893 -0.492 -2.895 1.00 0.00 N ATOM 990 CA ILE A 63 2.847 -0.223 -3.868 1.00 0.00 C ATOM 991 C ILE A 63 2.556 1.279 -3.895 1.00 0.00 C ATOM 992 O ILE A 63 2.115 1.847 -2.897 1.00 0.00 O ATOM 993 CB ILE A 63 1.614 -1.083 -3.580 1.00 0.00 C ATOM 994 CG1 ILE A 63 2.009 -2.540 -3.330 1.00 0.00 C ATOM 995 CG2 ILE A 63 0.582 -0.954 -4.702 1.00 0.00 C ATOM 996 CD1 ILE A 63 0.907 -3.284 -2.572 1.00 0.00 C ATOM 0 H ILE A 63 3.697 -0.153 -1.953 1.00 0.00 H new ATOM 0 HA ILE A 63 3.176 -0.503 -4.869 1.00 0.00 H new ATOM 0 HB ILE A 63 1.146 -0.715 -2.667 1.00 0.00 H new ATOM 0 HG12 ILE A 63 2.201 -3.037 -4.281 1.00 0.00 H new ATOM 0 HG13 ILE A 63 2.937 -2.576 -2.759 1.00 0.00 H new ATOM 0 HG21 ILE A 63 -0.284 -1.575 -4.473 1.00 0.00 H new ATOM 0 HG22 ILE A 63 0.269 0.086 -4.791 1.00 0.00 H new ATOM 0 HG23 ILE A 63 1.024 -1.282 -5.643 1.00 0.00 H new ATOM 0 HD11 ILE A 63 1.213 -4.317 -2.407 1.00 0.00 H new ATOM 0 HD12 ILE A 63 0.735 -2.799 -1.611 1.00 0.00 H new ATOM 0 HD13 ILE A 63 -0.012 -3.267 -3.157 1.00 0.00 H new ATOM 1008 N HIS A 64 2.814 1.878 -5.048 1.00 0.00 N ATOM 1009 CA HIS A 64 2.585 3.303 -5.219 1.00 0.00 C ATOM 1010 C HIS A 64 1.114 3.623 -4.946 1.00 0.00 C ATOM 1011 O HIS A 64 0.223 2.948 -5.461 1.00 0.00 O ATOM 1012 CB HIS A 64 3.046 3.765 -6.602 1.00 0.00 C ATOM 1013 CG HIS A 64 3.487 5.209 -6.652 1.00 0.00 C ATOM 1014 ND1 HIS A 64 3.794 6.082 -5.650 1.00 0.00 N flip ATOM 1015 CD2 HIS A 64 3.652 5.902 -7.838 1.00 0.00 C flip ATOM 1016 CE1 HIS A 64 4.129 7.245 -6.195 1.00 0.00 C flip ATOM 1017 NE2 HIS A 64 4.041 7.135 -7.552 1.00 0.00 N flip ATOM 0 H HIS A 64 3.179 1.403 -5.873 1.00 0.00 H new ATOM 0 HA HIS A 64 3.182 3.860 -4.497 1.00 0.00 H new ATOM 0 HB2 HIS A 64 3.871 3.132 -6.929 1.00 0.00 H new ATOM 0 HB3 HIS A 64 2.232 3.620 -7.312 1.00 0.00 H new ATOM 0 HD1 HIS A 64 3.770 5.876 -4.651 1.00 0.00 H new ATOM 0 HD2 HIS A 64 3.491 5.505 -8.829 1.00 0.00 H new ATOM 0 HE1 HIS A 64 4.423 8.132 -5.654 1.00 0.00 H new ATOM 1025 N LEU A 65 0.905 4.651 -4.138 1.00 0.00 N ATOM 1026 CA LEU A 65 -0.443 5.069 -3.791 1.00 0.00 C ATOM 1027 C LEU A 65 -0.699 6.469 -4.353 1.00 0.00 C ATOM 1028 O LEU A 65 -1.789 7.015 -4.194 1.00 0.00 O ATOM 1029 CB LEU A 65 -0.665 4.962 -2.281 1.00 0.00 C ATOM 1030 CG LEU A 65 -0.139 3.690 -1.614 1.00 0.00 C ATOM 1031 CD1 LEU A 65 -0.290 3.765 -0.093 1.00 0.00 C ATOM 1032 CD2 LEU A 65 -0.813 2.446 -2.196 1.00 0.00 C ATOM 0 H LEU A 65 1.647 5.208 -3.713 1.00 0.00 H new ATOM 0 HA LEU A 65 -1.177 4.404 -4.246 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -0.194 5.821 -1.803 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -1.735 5.035 -2.085 1.00 0.00 H new ATOM 0 HG LEU A 65 0.927 3.609 -1.828 1.00 0.00 H new ATOM 0 HD11 LEU A 65 0.092 2.848 0.356 1.00 0.00 H new ATOM 0 HD12 LEU A 65 0.274 4.617 0.287 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -1.343 3.883 0.163 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -0.421 1.556 -1.704 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -1.889 2.506 -2.034 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -0.610 2.389 -3.265 1.00 0.00 H new ATOM 1044 N ARG A 66 0.324 7.009 -4.999 1.00 0.00 N ATOM 1045 CA ARG A 66 0.224 8.334 -5.585 1.00 0.00 C ATOM 1046 C ARG A 66 -1.163 8.540 -6.197 1.00 0.00 C ATOM 1047 O ARG A 66 -1.925 9.394 -5.746 1.00 0.00 O ATOM 1048 CB ARG A 66 1.286 8.540 -6.666 1.00 0.00 C ATOM 1049 CG ARG A 66 2.221 9.696 -6.303 1.00 0.00 C ATOM 1050 CD ARG A 66 2.653 10.465 -7.553 1.00 0.00 C ATOM 1051 NE ARG A 66 2.679 11.918 -7.271 1.00 0.00 N ATOM 1052 CZ ARG A 66 3.060 12.849 -8.156 1.00 0.00 C ATOM 1053 NH1 ARG A 66 3.449 12.485 -9.385 1.00 0.00 N ATOM 1054 NH2 ARG A 66 3.051 14.144 -7.812 1.00 0.00 N ATOM 0 H ARG A 66 1.227 6.552 -5.129 1.00 0.00 H new ATOM 0 HA ARG A 66 0.386 9.061 -4.789 1.00 0.00 H new ATOM 0 HB2 ARG A 66 1.865 7.625 -6.791 1.00 0.00 H new ATOM 0 HB3 ARG A 66 0.803 8.745 -7.621 1.00 0.00 H new ATOM 0 HG2 ARG A 66 1.718 10.372 -5.612 1.00 0.00 H new ATOM 0 HG3 ARG A 66 3.100 9.309 -5.788 1.00 0.00 H new ATOM 0 HD2 ARG A 66 3.640 10.131 -7.872 1.00 0.00 H new ATOM 0 HD3 ARG A 66 1.965 10.258 -8.373 1.00 0.00 H new ATOM 0 HE ARG A 66 2.389 12.230 -6.344 1.00 0.00 H new ATOM 0 HH11 ARG A 66 3.455 11.499 -9.647 1.00 0.00 H new ATOM 0 HH12 ARG A 66 3.739 13.194 -10.059 1.00 0.00 H new ATOM 0 HH21 ARG A 66 2.754 14.421 -6.876 1.00 0.00 H new ATOM 0 HH22 ARG A 66 3.341 14.853 -8.486 1.00 0.00 H new ATOM 1068 N GLY A 67 -1.450 7.742 -7.216 1.00 0.00 N ATOM 1069 CA GLY A 67 -2.732 7.826 -7.895 1.00 0.00 C ATOM 1070 C GLY A 67 -3.385 6.447 -8.005 1.00 0.00 C ATOM 1071 O GLY A 67 -4.046 6.147 -8.998 1.00 0.00 O ATOM 0 H GLY A 67 -0.816 7.034 -7.588 1.00 0.00 H new ATOM 0 HA2 GLY A 67 -3.392 8.503 -7.352 1.00 0.00 H new ATOM 0 HA3 GLY A 67 -2.593 8.247 -8.891 1.00 0.00 H new ATOM 1075 N CYS A 68 -3.176 5.644 -6.972 1.00 0.00 N ATOM 1076 CA CYS A 68 -3.737 4.304 -6.940 1.00 0.00 C ATOM 1077 C CYS A 68 -5.258 4.422 -6.831 1.00 0.00 C ATOM 1078 O CYS A 68 -5.787 5.514 -6.631 1.00 0.00 O ATOM 1079 CB CYS A 68 -3.145 3.471 -5.801 1.00 0.00 C ATOM 1080 SG CYS A 68 -3.776 4.073 -4.192 1.00 0.00 S ATOM 0 H CYS A 68 -2.626 5.896 -6.151 1.00 0.00 H new ATOM 0 HA CYS A 68 -3.480 3.777 -7.859 1.00 0.00 H new ATOM 0 HB2 CYS A 68 -3.406 2.421 -5.934 1.00 0.00 H new ATOM 0 HB3 CYS A 68 -2.057 3.534 -5.821 1.00 0.00 H new ATOM 0 HG CYS A 68 -3.157 5.168 -3.865 1.00 0.00 H new ATOM 1086 N VAL A 69 -5.919 3.282 -6.967 1.00 0.00 N ATOM 1087 CA VAL A 69 -7.370 3.244 -6.886 1.00 0.00 C ATOM 1088 C VAL A 69 -7.791 2.196 -5.854 1.00 0.00 C ATOM 1089 O VAL A 69 -7.131 1.169 -5.701 1.00 0.00 O ATOM 1090 CB VAL A 69 -7.965 2.990 -8.272 1.00 0.00 C ATOM 1091 CG1 VAL A 69 -9.492 3.068 -8.236 1.00 0.00 C ATOM 1092 CG2 VAL A 69 -7.391 3.965 -9.302 1.00 0.00 C ATOM 0 H VAL A 69 -5.477 2.378 -7.133 1.00 0.00 H new ATOM 0 HA VAL A 69 -7.759 4.206 -6.551 1.00 0.00 H new ATOM 0 HB VAL A 69 -7.688 1.980 -8.575 1.00 0.00 H new ATOM 0 HG11 VAL A 69 -9.889 2.884 -9.234 1.00 0.00 H new ATOM 0 HG12 VAL A 69 -9.879 2.317 -7.547 1.00 0.00 H new ATOM 0 HG13 VAL A 69 -9.798 4.059 -7.901 1.00 0.00 H new ATOM 0 HG21 VAL A 69 -7.830 3.763 -10.279 1.00 0.00 H new ATOM 0 HG22 VAL A 69 -7.623 4.987 -9.004 1.00 0.00 H new ATOM 0 HG23 VAL A 69 -6.310 3.840 -9.358 1.00 0.00 H new ATOM 1102 N VAL A 70 -8.888 2.491 -5.172 1.00 0.00 N ATOM 1103 CA VAL A 70 -9.405 1.587 -4.158 1.00 0.00 C ATOM 1104 C VAL A 70 -10.748 1.021 -4.624 1.00 0.00 C ATOM 1105 O VAL A 70 -11.557 1.737 -5.211 1.00 0.00 O ATOM 1106 CB VAL A 70 -9.494 2.307 -2.811 1.00 0.00 C ATOM 1107 CG1 VAL A 70 -10.337 1.506 -1.816 1.00 0.00 C ATOM 1108 CG2 VAL A 70 -8.100 2.588 -2.247 1.00 0.00 C ATOM 0 H VAL A 70 -9.433 3.343 -5.302 1.00 0.00 H new ATOM 0 HA VAL A 70 -8.728 0.744 -4.016 1.00 0.00 H new ATOM 0 HB VAL A 70 -9.989 3.264 -2.975 1.00 0.00 H new ATOM 0 HG11 VAL A 70 -10.384 2.040 -0.867 1.00 0.00 H new ATOM 0 HG12 VAL A 70 -11.345 1.380 -2.212 1.00 0.00 H new ATOM 0 HG13 VAL A 70 -9.883 0.527 -1.660 1.00 0.00 H new ATOM 0 HG21 VAL A 70 -8.191 3.100 -1.289 1.00 0.00 H new ATOM 0 HG22 VAL A 70 -7.568 1.647 -2.106 1.00 0.00 H new ATOM 0 HG23 VAL A 70 -7.546 3.217 -2.944 1.00 0.00 H new ATOM 1118 N THR A 71 -10.943 -0.259 -4.343 1.00 0.00 N ATOM 1119 CA THR A 71 -12.174 -0.930 -4.725 1.00 0.00 C ATOM 1120 C THR A 71 -12.405 -2.162 -3.849 1.00 0.00 C ATOM 1121 O THR A 71 -11.542 -2.535 -3.056 1.00 0.00 O ATOM 1122 CB THR A 71 -12.093 -1.253 -6.219 1.00 0.00 C ATOM 1123 OG1 THR A 71 -13.437 -1.130 -6.675 1.00 0.00 O ATOM 1124 CG2 THR A 71 -11.742 -2.719 -6.482 1.00 0.00 C ATOM 0 H THR A 71 -10.269 -0.849 -3.855 1.00 0.00 H new ATOM 0 HA THR A 71 -13.040 -0.288 -4.563 1.00 0.00 H new ATOM 0 HB THR A 71 -11.348 -0.611 -6.689 1.00 0.00 H new ATOM 0 HG1 THR A 71 -13.475 -1.321 -7.635 1.00 0.00 H new ATOM 0 HG21 THR A 71 -11.697 -2.895 -7.557 1.00 0.00 H new ATOM 0 HG22 THR A 71 -10.774 -2.947 -6.036 1.00 0.00 H new ATOM 0 HG23 THR A 71 -12.505 -3.361 -6.041 1.00 0.00 H new ATOM 1132 N SER A 72 -13.575 -2.761 -4.021 1.00 0.00 N ATOM 1133 CA SER A 72 -13.930 -3.943 -3.255 1.00 0.00 C ATOM 1134 C SER A 72 -14.168 -5.125 -4.198 1.00 0.00 C ATOM 1135 O SER A 72 -14.629 -4.943 -5.323 1.00 0.00 O ATOM 1136 CB SER A 72 -15.170 -3.691 -2.396 1.00 0.00 C ATOM 1137 OG SER A 72 -15.538 -2.314 -2.380 1.00 0.00 O ATOM 0 H SER A 72 -14.289 -2.449 -4.680 1.00 0.00 H new ATOM 0 HA SER A 72 -13.102 -4.180 -2.587 1.00 0.00 H new ATOM 0 HB2 SER A 72 -16.001 -4.284 -2.777 1.00 0.00 H new ATOM 0 HB3 SER A 72 -14.979 -4.027 -1.377 1.00 0.00 H new ATOM 0 HG SER A 72 -16.335 -2.195 -1.822 1.00 0.00 H new ATOM 1143 N VAL A 73 -13.842 -6.310 -3.703 1.00 0.00 N ATOM 1144 CA VAL A 73 -14.015 -7.521 -4.487 1.00 0.00 C ATOM 1145 C VAL A 73 -15.490 -7.927 -4.472 1.00 0.00 C ATOM 1146 O VAL A 73 -16.325 -7.224 -3.905 1.00 0.00 O ATOM 1147 CB VAL A 73 -13.088 -8.620 -3.964 1.00 0.00 C ATOM 1148 CG1 VAL A 73 -11.622 -8.190 -4.056 1.00 0.00 C ATOM 1149 CG2 VAL A 73 -13.455 -9.012 -2.531 1.00 0.00 C ATOM 0 H VAL A 73 -13.459 -6.457 -2.769 1.00 0.00 H new ATOM 0 HA VAL A 73 -13.736 -7.346 -5.526 1.00 0.00 H new ATOM 0 HB VAL A 73 -13.221 -9.498 -4.596 1.00 0.00 H new ATOM 0 HG11 VAL A 73 -10.984 -8.989 -3.678 1.00 0.00 H new ATOM 0 HG12 VAL A 73 -11.368 -7.984 -5.096 1.00 0.00 H new ATOM 0 HG13 VAL A 73 -11.469 -7.290 -3.460 1.00 0.00 H new ATOM 0 HG21 VAL A 73 -12.781 -9.795 -2.184 1.00 0.00 H new ATOM 0 HG22 VAL A 73 -13.365 -8.141 -1.881 1.00 0.00 H new ATOM 0 HG23 VAL A 73 -14.481 -9.379 -2.506 1.00 0.00 H new ATOM 1318 N GLU A 85 -12.983 -15.130 2.046 1.00 0.00 N ATOM 1319 CA GLU A 85 -13.419 -14.211 3.084 1.00 0.00 C ATOM 1320 C GLU A 85 -13.644 -12.817 2.497 1.00 0.00 C ATOM 1321 O GLU A 85 -14.042 -12.682 1.341 1.00 0.00 O ATOM 1322 CB GLU A 85 -12.411 -14.166 4.235 1.00 0.00 C ATOM 1323 CG GLU A 85 -11.921 -15.571 4.590 1.00 0.00 C ATOM 1324 CD GLU A 85 -11.309 -15.600 5.992 1.00 0.00 C ATOM 1325 OE1 GLU A 85 -11.813 -14.841 6.847 1.00 0.00 O ATOM 1326 OE2 GLU A 85 -10.351 -16.381 6.177 1.00 0.00 O ATOM 0 HA GLU A 85 -14.365 -14.571 3.488 1.00 0.00 H new ATOM 0 HB2 GLU A 85 -11.563 -13.541 3.956 1.00 0.00 H new ATOM 0 HB3 GLU A 85 -12.872 -13.706 5.109 1.00 0.00 H new ATOM 0 HG2 GLU A 85 -12.752 -16.274 4.538 1.00 0.00 H new ATOM 0 HG3 GLU A 85 -11.181 -15.897 3.859 1.00 0.00 H new ATOM 1333 N ASN A 86 -13.380 -11.813 3.321 1.00 0.00 N ATOM 1334 CA ASN A 86 -13.549 -10.433 2.898 1.00 0.00 C ATOM 1335 C ASN A 86 -12.221 -9.907 2.349 1.00 0.00 C ATOM 1336 O ASN A 86 -11.261 -9.731 3.098 1.00 0.00 O ATOM 1337 CB ASN A 86 -13.960 -9.544 4.073 1.00 0.00 C ATOM 1338 CG ASN A 86 -15.258 -10.044 4.711 1.00 0.00 C ATOM 1339 OD1 ASN A 86 -16.286 -10.176 4.067 1.00 0.00 O ATOM 1340 ND2 ASN A 86 -15.154 -10.313 6.009 1.00 0.00 N ATOM 0 H ASN A 86 -13.050 -11.928 4.279 1.00 0.00 H new ATOM 0 HA ASN A 86 -14.328 -10.406 2.136 1.00 0.00 H new ATOM 0 HB2 ASN A 86 -13.165 -9.531 4.819 1.00 0.00 H new ATOM 0 HB3 ASN A 86 -14.091 -8.518 3.729 1.00 0.00 H new ATOM 0 HD21 ASN A 86 -15.965 -10.652 6.526 1.00 0.00 H new ATOM 0 HD22 ASN A 86 -14.263 -10.180 6.488 1.00 0.00 H new ATOM 1347 N LEU A 87 -12.210 -9.669 1.045 1.00 0.00 N ATOM 1348 CA LEU A 87 -11.016 -9.166 0.387 1.00 0.00 C ATOM 1349 C LEU A 87 -11.366 -7.899 -0.396 1.00 0.00 C ATOM 1350 O LEU A 87 -12.534 -7.523 -0.485 1.00 0.00 O ATOM 1351 CB LEU A 87 -10.374 -10.260 -0.468 1.00 0.00 C ATOM 1352 CG LEU A 87 -11.144 -11.579 -0.558 1.00 0.00 C ATOM 1353 CD1 LEU A 87 -11.003 -12.202 -1.948 1.00 0.00 C ATOM 1354 CD2 LEU A 87 -10.713 -12.543 0.549 1.00 0.00 C ATOM 0 H LEU A 87 -13.008 -9.815 0.427 1.00 0.00 H new ATOM 0 HA LEU A 87 -10.263 -8.888 1.124 1.00 0.00 H new ATOM 0 HB2 LEU A 87 -10.238 -9.872 -1.477 1.00 0.00 H new ATOM 0 HB3 LEU A 87 -9.381 -10.468 -0.070 1.00 0.00 H new ATOM 0 HG LEU A 87 -12.202 -11.368 -0.406 1.00 0.00 H new ATOM 0 HD11 LEU A 87 -11.560 -13.138 -1.985 1.00 0.00 H new ATOM 0 HD12 LEU A 87 -11.398 -11.515 -2.696 1.00 0.00 H new ATOM 0 HD13 LEU A 87 -9.951 -12.397 -2.154 1.00 0.00 H new ATOM 0 HD21 LEU A 87 -11.276 -13.472 0.462 1.00 0.00 H new ATOM 0 HD22 LEU A 87 -9.648 -12.754 0.454 1.00 0.00 H new ATOM 0 HD23 LEU A 87 -10.908 -12.091 1.521 1.00 0.00 H new ATOM 1366 N PHE A 88 -10.333 -7.277 -0.945 1.00 0.00 N ATOM 1367 CA PHE A 88 -10.517 -6.060 -1.718 1.00 0.00 C ATOM 1368 C PHE A 88 -9.394 -5.886 -2.742 1.00 0.00 C ATOM 1369 O PHE A 88 -8.261 -6.302 -2.503 1.00 0.00 O ATOM 1370 CB PHE A 88 -10.478 -4.892 -0.731 1.00 0.00 C ATOM 1371 CG PHE A 88 -9.263 -4.905 0.200 1.00 0.00 C ATOM 1372 CD1 PHE A 88 -8.048 -4.503 -0.262 1.00 0.00 C ATOM 1373 CD2 PHE A 88 -9.398 -5.319 1.488 1.00 0.00 C ATOM 1374 CE1 PHE A 88 -6.921 -4.515 0.602 1.00 0.00 C ATOM 1375 CE2 PHE A 88 -8.271 -5.331 2.352 1.00 0.00 C ATOM 1376 CZ PHE A 88 -7.056 -4.929 1.890 1.00 0.00 C ATOM 0 H PHE A 88 -9.366 -7.593 -0.870 1.00 0.00 H new ATOM 0 HA PHE A 88 -11.462 -6.103 -2.259 1.00 0.00 H new ATOM 0 HB2 PHE A 88 -10.484 -3.956 -1.290 1.00 0.00 H new ATOM 0 HB3 PHE A 88 -11.386 -4.909 -0.128 1.00 0.00 H new ATOM 0 HD1 PHE A 88 -7.941 -4.175 -1.285 1.00 0.00 H new ATOM 0 HD2 PHE A 88 -10.362 -5.639 1.854 1.00 0.00 H new ATOM 0 HE1 PHE A 88 -5.957 -4.195 0.236 1.00 0.00 H new ATOM 0 HE2 PHE A 88 -8.378 -5.659 3.375 1.00 0.00 H new ATOM 0 HZ PHE A 88 -6.199 -4.939 2.547 1.00 0.00 H new ATOM 1386 N GLU A 89 -9.746 -5.270 -3.861 1.00 0.00 N ATOM 1387 CA GLU A 89 -8.782 -5.036 -4.922 1.00 0.00 C ATOM 1388 C GLU A 89 -8.275 -3.593 -4.870 1.00 0.00 C ATOM 1389 O GLU A 89 -9.065 -2.658 -4.743 1.00 0.00 O ATOM 1390 CB GLU A 89 -9.384 -5.356 -6.291 1.00 0.00 C ATOM 1391 CG GLU A 89 -8.378 -5.082 -7.411 1.00 0.00 C ATOM 1392 CD GLU A 89 -8.952 -5.478 -8.773 1.00 0.00 C ATOM 1393 OE1 GLU A 89 -9.606 -4.608 -9.387 1.00 0.00 O ATOM 1394 OE2 GLU A 89 -8.723 -6.641 -9.169 1.00 0.00 O ATOM 0 H GLU A 89 -10.686 -4.926 -4.056 1.00 0.00 H new ATOM 0 HA GLU A 89 -7.935 -5.704 -4.769 1.00 0.00 H new ATOM 0 HB2 GLU A 89 -9.692 -6.401 -6.321 1.00 0.00 H new ATOM 0 HB3 GLU A 89 -10.280 -4.755 -6.447 1.00 0.00 H new ATOM 0 HG2 GLU A 89 -8.114 -4.024 -7.417 1.00 0.00 H new ATOM 0 HG3 GLU A 89 -7.460 -5.638 -7.224 1.00 0.00 H new ATOM 1401 N ILE A 90 -6.961 -3.457 -4.970 1.00 0.00 N ATOM 1402 CA ILE A 90 -6.340 -2.143 -4.936 1.00 0.00 C ATOM 1403 C ILE A 90 -5.477 -1.960 -6.185 1.00 0.00 C ATOM 1404 O ILE A 90 -4.399 -2.543 -6.291 1.00 0.00 O ATOM 1405 CB ILE A 90 -5.575 -1.947 -3.625 1.00 0.00 C ATOM 1406 CG1 ILE A 90 -6.527 -1.963 -2.427 1.00 0.00 C ATOM 1407 CG2 ILE A 90 -4.731 -0.671 -3.670 1.00 0.00 C ATOM 1408 CD1 ILE A 90 -5.754 -2.111 -1.115 1.00 0.00 C ATOM 0 H ILE A 90 -6.309 -4.234 -5.075 1.00 0.00 H new ATOM 0 HA ILE A 90 -7.099 -1.361 -4.956 1.00 0.00 H new ATOM 0 HB ILE A 90 -4.888 -2.784 -3.501 1.00 0.00 H new ATOM 0 HG12 ILE A 90 -7.109 -1.042 -2.408 1.00 0.00 H new ATOM 0 HG13 ILE A 90 -7.235 -2.785 -2.531 1.00 0.00 H new ATOM 0 HG21 ILE A 90 -4.197 -0.554 -2.727 1.00 0.00 H new ATOM 0 HG22 ILE A 90 -4.013 -0.738 -4.487 1.00 0.00 H new ATOM 0 HG23 ILE A 90 -5.381 0.190 -3.828 1.00 0.00 H new ATOM 0 HD11 ILE A 90 -6.454 -2.120 -0.279 1.00 0.00 H new ATOM 0 HD12 ILE A 90 -5.192 -3.045 -1.127 1.00 0.00 H new ATOM 0 HD13 ILE A 90 -5.065 -1.274 -1.002 1.00 0.00 H new ATOM 1420 N ILE A 91 -5.983 -1.146 -7.101 1.00 0.00 N ATOM 1421 CA ILE A 91 -5.272 -0.878 -8.339 1.00 0.00 C ATOM 1422 C ILE A 91 -4.245 0.232 -8.102 1.00 0.00 C ATOM 1423 O ILE A 91 -4.508 1.177 -7.360 1.00 0.00 O ATOM 1424 CB ILE A 91 -6.258 -0.573 -9.468 1.00 0.00 C ATOM 1425 CG1 ILE A 91 -7.402 -1.589 -9.486 1.00 0.00 C ATOM 1426 CG2 ILE A 91 -5.540 -0.496 -10.817 1.00 0.00 C ATOM 1427 CD1 ILE A 91 -8.757 -0.886 -9.589 1.00 0.00 C ATOM 0 H ILE A 91 -6.877 -0.664 -7.010 1.00 0.00 H new ATOM 0 HA ILE A 91 -4.719 -1.761 -8.660 1.00 0.00 H new ATOM 0 HB ILE A 91 -6.699 0.406 -9.281 1.00 0.00 H new ATOM 0 HG12 ILE A 91 -7.276 -2.269 -10.328 1.00 0.00 H new ATOM 0 HG13 ILE A 91 -7.370 -2.194 -8.580 1.00 0.00 H new ATOM 0 HG21 ILE A 91 -6.264 -0.278 -11.602 1.00 0.00 H new ATOM 0 HG22 ILE A 91 -4.790 0.294 -10.785 1.00 0.00 H new ATOM 0 HG23 ILE A 91 -5.054 -1.449 -11.026 1.00 0.00 H new ATOM 0 HD11 ILE A 91 -9.553 -1.630 -9.600 1.00 0.00 H new ATOM 0 HD12 ILE A 91 -8.890 -0.225 -8.733 1.00 0.00 H new ATOM 0 HD13 ILE A 91 -8.795 -0.301 -10.508 1.00 0.00 H new ATOM 1439 N THR A 92 -3.098 0.081 -8.748 1.00 0.00 N ATOM 1440 CA THR A 92 -2.032 1.059 -8.618 1.00 0.00 C ATOM 1441 C THR A 92 -1.920 1.900 -9.891 1.00 0.00 C ATOM 1442 O THR A 92 -2.687 1.710 -10.833 1.00 0.00 O ATOM 1443 CB THR A 92 -0.744 0.310 -8.269 1.00 0.00 C ATOM 1444 OG1 THR A 92 -0.427 -0.407 -9.459 1.00 0.00 O ATOM 1445 CG2 THR A 92 -0.967 -0.784 -7.223 1.00 0.00 C ATOM 0 H THR A 92 -2.884 -0.704 -9.363 1.00 0.00 H new ATOM 0 HA THR A 92 -2.241 1.767 -7.816 1.00 0.00 H new ATOM 0 HB THR A 92 -0.001 1.018 -7.901 1.00 0.00 H new ATOM 0 HG1 THR A 92 0.522 -0.653 -9.450 1.00 0.00 H new ATOM 0 HG21 THR A 92 -0.022 -1.284 -7.012 1.00 0.00 H new ATOM 0 HG22 THR A 92 -1.354 -0.338 -6.307 1.00 0.00 H new ATOM 0 HG23 THR A 92 -1.685 -1.511 -7.604 1.00 0.00 H new ATOM 1453 N ALA A 93 -0.959 2.812 -9.877 1.00 0.00 N ATOM 1454 CA ALA A 93 -0.737 3.682 -11.019 1.00 0.00 C ATOM 1455 C ALA A 93 -0.261 2.846 -12.208 1.00 0.00 C ATOM 1456 O ALA A 93 -0.238 3.326 -13.340 1.00 0.00 O ATOM 1457 CB ALA A 93 0.261 4.778 -10.640 1.00 0.00 C ATOM 0 H ALA A 93 -0.325 2.967 -9.093 1.00 0.00 H new ATOM 0 HA ALA A 93 -1.665 4.173 -11.312 1.00 0.00 H new ATOM 0 HB1 ALA A 93 0.427 5.431 -11.497 1.00 0.00 H new ATOM 0 HB2 ALA A 93 -0.138 5.362 -9.811 1.00 0.00 H new ATOM 0 HB3 ALA A 93 1.205 4.323 -10.342 1.00 0.00 H new ATOM 1463 N ASP A 94 0.107 1.608 -11.911 1.00 0.00 N ATOM 1464 CA ASP A 94 0.581 0.700 -12.941 1.00 0.00 C ATOM 1465 C ASP A 94 -0.567 -0.211 -13.379 1.00 0.00 C ATOM 1466 O ASP A 94 -0.389 -1.067 -14.245 1.00 0.00 O ATOM 1467 CB ASP A 94 1.714 -0.185 -12.417 1.00 0.00 C ATOM 1468 CG ASP A 94 3.076 0.055 -13.069 1.00 0.00 C ATOM 1469 OD1 ASP A 94 3.080 0.611 -14.189 1.00 0.00 O ATOM 1470 OD2 ASP A 94 4.084 -0.324 -12.434 1.00 0.00 O ATOM 0 H ASP A 94 0.086 1.213 -10.971 1.00 0.00 H new ATOM 0 HA ASP A 94 0.948 1.298 -13.775 1.00 0.00 H new ATOM 0 HB2 ASP A 94 1.810 -0.028 -11.343 1.00 0.00 H new ATOM 0 HB3 ASP A 94 1.437 -1.229 -12.564 1.00 0.00 H new ATOM 1475 N GLU A 95 -1.719 0.003 -12.761 1.00 0.00 N ATOM 1476 CA GLU A 95 -2.896 -0.789 -13.076 1.00 0.00 C ATOM 1477 C GLU A 95 -2.807 -2.162 -12.408 1.00 0.00 C ATOM 1478 O GLU A 95 -3.667 -3.016 -12.617 1.00 0.00 O ATOM 1479 CB GLU A 95 -3.075 -0.926 -14.590 1.00 0.00 C ATOM 1480 CG GLU A 95 -2.675 0.364 -15.308 1.00 0.00 C ATOM 1481 CD GLU A 95 -3.416 0.502 -16.640 1.00 0.00 C ATOM 1482 OE1 GLU A 95 -2.891 -0.033 -17.640 1.00 0.00 O ATOM 1483 OE2 GLU A 95 -4.491 1.140 -16.627 1.00 0.00 O ATOM 0 H GLU A 95 -1.863 0.714 -12.043 1.00 0.00 H new ATOM 0 HA GLU A 95 -3.773 -0.273 -12.684 1.00 0.00 H new ATOM 0 HB2 GLU A 95 -2.469 -1.754 -14.958 1.00 0.00 H new ATOM 0 HB3 GLU A 95 -4.114 -1.166 -14.817 1.00 0.00 H new ATOM 0 HG2 GLU A 95 -2.897 1.222 -14.673 1.00 0.00 H new ATOM 0 HG3 GLU A 95 -1.599 0.368 -15.484 1.00 0.00 H new ATOM 1490 N VAL A 96 -1.757 -2.333 -11.617 1.00 0.00 N ATOM 1491 CA VAL A 96 -1.544 -3.588 -10.917 1.00 0.00 C ATOM 1492 C VAL A 96 -2.637 -3.770 -9.862 1.00 0.00 C ATOM 1493 O VAL A 96 -2.898 -2.866 -9.071 1.00 0.00 O ATOM 1494 CB VAL A 96 -0.133 -3.625 -10.328 1.00 0.00 C ATOM 1495 CG1 VAL A 96 0.148 -4.975 -9.663 1.00 0.00 C ATOM 1496 CG2 VAL A 96 0.916 -3.312 -11.397 1.00 0.00 C ATOM 0 H VAL A 96 -1.045 -1.623 -11.446 1.00 0.00 H new ATOM 0 HA VAL A 96 -1.616 -4.428 -11.608 1.00 0.00 H new ATOM 0 HB VAL A 96 -0.070 -2.853 -9.561 1.00 0.00 H new ATOM 0 HG11 VAL A 96 1.158 -4.975 -9.252 1.00 0.00 H new ATOM 0 HG12 VAL A 96 -0.570 -5.142 -8.860 1.00 0.00 H new ATOM 0 HG13 VAL A 96 0.057 -5.771 -10.402 1.00 0.00 H new ATOM 0 HG21 VAL A 96 1.910 -3.345 -10.952 1.00 0.00 H new ATOM 0 HG22 VAL A 96 0.852 -4.050 -12.197 1.00 0.00 H new ATOM 0 HG23 VAL A 96 0.734 -2.318 -11.805 1.00 0.00 H new ATOM 1506 N HIS A 97 -3.247 -4.947 -9.885 1.00 0.00 N ATOM 1507 CA HIS A 97 -4.306 -5.259 -8.941 1.00 0.00 C ATOM 1508 C HIS A 97 -3.766 -6.190 -7.854 1.00 0.00 C ATOM 1509 O HIS A 97 -2.893 -7.016 -8.116 1.00 0.00 O ATOM 1510 CB HIS A 97 -5.526 -5.836 -9.663 1.00 0.00 C ATOM 1511 CG HIS A 97 -5.870 -5.125 -10.950 1.00 0.00 C ATOM 1512 ND1 HIS A 97 -7.045 -4.415 -11.123 1.00 0.00 N ATOM 1513 CD2 HIS A 97 -5.181 -5.023 -12.123 1.00 0.00 C ATOM 1514 CE1 HIS A 97 -7.053 -3.912 -12.349 1.00 0.00 C ATOM 1515 NE2 HIS A 97 -5.898 -4.291 -12.967 1.00 0.00 N ATOM 0 H HIS A 97 -3.028 -5.695 -10.543 1.00 0.00 H new ATOM 0 HA HIS A 97 -4.644 -4.345 -8.453 1.00 0.00 H new ATOM 0 HB2 HIS A 97 -5.344 -6.889 -9.879 1.00 0.00 H new ATOM 0 HB3 HIS A 97 -6.386 -5.792 -8.994 1.00 0.00 H new ATOM 0 HD2 HIS A 97 -4.217 -5.463 -12.330 1.00 0.00 H new ATOM 0 HE1 HIS A 97 -7.836 -3.308 -12.782 1.00 0.00 H new ATOM 0 HE2 HIS A 97 -5.629 -4.051 -13.921 1.00 0.00 H new ATOM 1523 N TYR A 98 -4.307 -6.026 -6.656 1.00 0.00 N ATOM 1524 CA TYR A 98 -3.890 -6.841 -5.528 1.00 0.00 C ATOM 1525 C TYR A 98 -5.085 -7.207 -4.644 1.00 0.00 C ATOM 1526 O TYR A 98 -5.800 -6.328 -4.166 1.00 0.00 O ATOM 1527 CB TYR A 98 -2.919 -5.978 -4.720 1.00 0.00 C ATOM 1528 CG TYR A 98 -1.545 -5.811 -5.371 1.00 0.00 C ATOM 1529 CD1 TYR A 98 -0.770 -6.921 -5.641 1.00 0.00 C ATOM 1530 CD2 TYR A 98 -1.080 -4.551 -5.689 1.00 0.00 C ATOM 1531 CE1 TYR A 98 0.524 -6.764 -6.254 1.00 0.00 C ATOM 1532 CE2 TYR A 98 0.213 -4.394 -6.302 1.00 0.00 C ATOM 1533 CZ TYR A 98 0.951 -5.508 -6.554 1.00 0.00 C ATOM 1534 OH TYR A 98 2.173 -5.360 -7.133 1.00 0.00 O ATOM 0 H TYR A 98 -5.031 -5.340 -6.442 1.00 0.00 H new ATOM 0 HA TYR A 98 -3.436 -7.770 -5.873 1.00 0.00 H new ATOM 0 HB2 TYR A 98 -3.362 -4.993 -4.572 1.00 0.00 H new ATOM 0 HB3 TYR A 98 -2.790 -6.421 -3.733 1.00 0.00 H new ATOM 0 HD1 TYR A 98 -1.134 -7.907 -5.393 1.00 0.00 H new ATOM 0 HD2 TYR A 98 -1.686 -3.683 -5.478 1.00 0.00 H new ATOM 0 HE1 TYR A 98 1.141 -7.624 -6.470 1.00 0.00 H new ATOM 0 HE2 TYR A 98 0.588 -3.414 -6.556 1.00 0.00 H new ATOM 0 HH TYR A 98 2.347 -4.409 -7.292 1.00 0.00 H new ATOM 1544 N PHE A 99 -5.265 -8.506 -4.455 1.00 0.00 N ATOM 1545 CA PHE A 99 -6.360 -8.999 -3.638 1.00 0.00 C ATOM 1546 C PHE A 99 -5.880 -9.341 -2.227 1.00 0.00 C ATOM 1547 O PHE A 99 -5.191 -10.340 -2.027 1.00 0.00 O ATOM 1548 CB PHE A 99 -6.882 -10.271 -4.310 1.00 0.00 C ATOM 1549 CG PHE A 99 -7.360 -10.064 -5.748 1.00 0.00 C ATOM 1550 CD1 PHE A 99 -8.570 -9.493 -5.987 1.00 0.00 C ATOM 1551 CD2 PHE A 99 -6.573 -10.451 -6.788 1.00 0.00 C ATOM 1552 CE1 PHE A 99 -9.014 -9.301 -7.323 1.00 0.00 C ATOM 1553 CE2 PHE A 99 -7.016 -10.259 -8.124 1.00 0.00 C ATOM 1554 CZ PHE A 99 -8.227 -9.688 -8.363 1.00 0.00 C ATOM 0 H PHE A 99 -4.670 -9.232 -4.854 1.00 0.00 H new ATOM 0 HA PHE A 99 -7.134 -8.237 -3.554 1.00 0.00 H new ATOM 0 HB2 PHE A 99 -6.092 -11.022 -4.305 1.00 0.00 H new ATOM 0 HB3 PHE A 99 -7.706 -10.670 -3.718 1.00 0.00 H new ATOM 0 HD1 PHE A 99 -9.194 -9.185 -5.161 1.00 0.00 H new ATOM 0 HD2 PHE A 99 -5.611 -10.904 -6.598 1.00 0.00 H new ATOM 0 HE1 PHE A 99 -9.976 -8.848 -7.513 1.00 0.00 H new ATOM 0 HE2 PHE A 99 -6.391 -10.566 -8.950 1.00 0.00 H new ATOM 0 HZ PHE A 99 -8.564 -9.542 -9.379 1.00 0.00 H new ATOM 1564 N LEU A 100 -6.264 -8.493 -1.284 1.00 0.00 N ATOM 1565 CA LEU A 100 -5.881 -8.694 0.104 1.00 0.00 C ATOM 1566 C LEU A 100 -7.109 -9.123 0.910 1.00 0.00 C ATOM 1567 O LEU A 100 -8.151 -8.471 0.855 1.00 0.00 O ATOM 1568 CB LEU A 100 -5.189 -7.446 0.655 1.00 0.00 C ATOM 1569 CG LEU A 100 -3.944 -6.980 -0.103 1.00 0.00 C ATOM 1570 CD1 LEU A 100 -3.080 -8.171 -0.522 1.00 0.00 C ATOM 1571 CD2 LEU A 100 -4.325 -6.100 -1.295 1.00 0.00 C ATOM 0 H LEU A 100 -6.836 -7.666 -1.453 1.00 0.00 H new ATOM 0 HA LEU A 100 -5.149 -9.498 0.185 1.00 0.00 H new ATOM 0 HB2 LEU A 100 -5.911 -6.629 0.665 1.00 0.00 H new ATOM 0 HB3 LEU A 100 -4.909 -7.637 1.691 1.00 0.00 H new ATOM 0 HG LEU A 100 -3.344 -6.368 0.570 1.00 0.00 H new ATOM 0 HD11 LEU A 100 -2.202 -7.812 -1.059 1.00 0.00 H new ATOM 0 HD12 LEU A 100 -2.764 -8.721 0.364 1.00 0.00 H new ATOM 0 HD13 LEU A 100 -3.658 -8.829 -1.171 1.00 0.00 H new ATOM 0 HD21 LEU A 100 -3.422 -5.782 -1.816 1.00 0.00 H new ATOM 0 HD22 LEU A 100 -4.958 -6.667 -1.978 1.00 0.00 H new ATOM 0 HD23 LEU A 100 -4.867 -5.223 -0.941 1.00 0.00 H new ATOM 1583 N GLN A 101 -6.946 -10.216 1.641 1.00 0.00 N ATOM 1584 CA GLN A 101 -8.028 -10.739 2.457 1.00 0.00 C ATOM 1585 C GLN A 101 -7.922 -10.202 3.886 1.00 0.00 C ATOM 1586 O GLN A 101 -6.956 -10.490 4.591 1.00 0.00 O ATOM 1587 CB GLN A 101 -8.033 -12.269 2.446 1.00 0.00 C ATOM 1588 CG GLN A 101 -9.107 -12.820 3.385 1.00 0.00 C ATOM 1589 CD GLN A 101 -8.512 -13.838 4.361 1.00 0.00 C ATOM 1590 OE1 GLN A 101 -7.990 -13.498 5.410 1.00 0.00 O ATOM 1591 NE2 GLN A 101 -8.620 -15.101 3.958 1.00 0.00 N ATOM 0 H GLN A 101 -6.080 -10.754 1.685 1.00 0.00 H new ATOM 0 HA GLN A 101 -8.973 -10.402 2.032 1.00 0.00 H new ATOM 0 HB2 GLN A 101 -8.212 -12.628 1.433 1.00 0.00 H new ATOM 0 HB3 GLN A 101 -7.054 -12.642 2.748 1.00 0.00 H new ATOM 0 HG2 GLN A 101 -9.564 -12.001 3.941 1.00 0.00 H new ATOM 0 HG3 GLN A 101 -9.899 -13.290 2.802 1.00 0.00 H new ATOM 0 HE21 GLN A 101 -9.069 -15.316 3.068 1.00 0.00 H new ATOM 0 HE22 GLN A 101 -8.254 -15.855 4.539 1.00 0.00 H new ATOM 1600 N ALA A 102 -8.929 -9.431 4.271 1.00 0.00 N ATOM 1601 CA ALA A 102 -8.961 -8.851 5.602 1.00 0.00 C ATOM 1602 C ALA A 102 -9.526 -9.877 6.587 1.00 0.00 C ATOM 1603 O ALA A 102 -10.447 -10.621 6.253 1.00 0.00 O ATOM 1604 CB ALA A 102 -9.776 -7.557 5.576 1.00 0.00 C ATOM 0 H ALA A 102 -9.729 -9.195 3.684 1.00 0.00 H new ATOM 0 HA ALA A 102 -7.955 -8.595 5.934 1.00 0.00 H new ATOM 0 HB1 ALA A 102 -9.800 -7.122 6.575 1.00 0.00 H new ATOM 0 HB2 ALA A 102 -9.316 -6.851 4.884 1.00 0.00 H new ATOM 0 HB3 ALA A 102 -10.793 -7.774 5.250 1.00 0.00 H new ATOM 1610 N ALA A 103 -8.951 -9.884 7.780 1.00 0.00 N ATOM 1611 CA ALA A 103 -9.386 -10.806 8.816 1.00 0.00 C ATOM 1612 C ALA A 103 -10.900 -10.685 8.997 1.00 0.00 C ATOM 1613 O ALA A 103 -11.634 -11.646 8.773 1.00 0.00 O ATOM 1614 CB ALA A 103 -8.620 -10.520 10.109 1.00 0.00 C ATOM 0 H ALA A 103 -8.187 -9.266 8.053 1.00 0.00 H new ATOM 0 HA ALA A 103 -9.169 -11.835 8.529 1.00 0.00 H new ATOM 0 HB1 ALA A 103 -8.946 -11.212 10.886 1.00 0.00 H new ATOM 0 HB2 ALA A 103 -7.552 -10.648 9.935 1.00 0.00 H new ATOM 0 HB3 ALA A 103 -8.815 -9.497 10.429 1.00 0.00 H new ATOM 1620 N THR A 104 -11.323 -9.496 9.400 1.00 0.00 N ATOM 1621 CA THR A 104 -12.737 -9.237 9.613 1.00 0.00 C ATOM 1622 C THR A 104 -13.293 -8.357 8.492 1.00 0.00 C ATOM 1623 O THR A 104 -12.534 -7.787 7.711 1.00 0.00 O ATOM 1624 CB THR A 104 -12.900 -8.623 11.005 1.00 0.00 C ATOM 1625 OG1 THR A 104 -12.560 -7.252 10.822 1.00 0.00 O ATOM 1626 CG2 THR A 104 -11.856 -9.137 11.998 1.00 0.00 C ATOM 0 H THR A 104 -10.711 -8.701 9.585 1.00 0.00 H new ATOM 0 HA THR A 104 -13.318 -10.159 9.578 1.00 0.00 H new ATOM 0 HB THR A 104 -13.899 -8.842 11.383 1.00 0.00 H new ATOM 0 HG1 THR A 104 -12.640 -6.778 11.676 1.00 0.00 H new ATOM 0 HG21 THR A 104 -12.017 -8.670 12.970 1.00 0.00 H new ATOM 0 HG22 THR A 104 -11.948 -10.219 12.096 1.00 0.00 H new ATOM 0 HG23 THR A 104 -10.858 -8.889 11.637 1.00 0.00 H new ATOM 1634 N PRO A 105 -14.650 -8.273 8.447 1.00 0.00 N ATOM 1635 CA PRO A 105 -15.317 -7.473 7.435 1.00 0.00 C ATOM 1636 C PRO A 105 -15.200 -5.980 7.751 1.00 0.00 C ATOM 1637 O PRO A 105 -15.573 -5.138 6.936 1.00 0.00 O ATOM 1638 CB PRO A 105 -16.754 -7.967 7.426 1.00 0.00 C ATOM 1639 CG PRO A 105 -16.952 -8.696 8.745 1.00 0.00 C ATOM 1640 CD PRO A 105 -15.581 -8.935 9.356 1.00 0.00 C ATOM 0 HA PRO A 105 -14.866 -7.582 6.449 1.00 0.00 H new ATOM 0 HB2 PRO A 105 -17.452 -7.136 7.331 1.00 0.00 H new ATOM 0 HB3 PRO A 105 -16.933 -8.632 6.581 1.00 0.00 H new ATOM 0 HG2 PRO A 105 -17.572 -8.105 9.419 1.00 0.00 H new ATOM 0 HG3 PRO A 105 -17.469 -9.642 8.584 1.00 0.00 H new ATOM 0 HD2 PRO A 105 -15.517 -8.518 10.361 1.00 0.00 H new ATOM 0 HD3 PRO A 105 -15.364 -10.000 9.438 1.00 0.00 H new ATOM 1648 N LYS A 106 -14.681 -5.698 8.937 1.00 0.00 N ATOM 1649 CA LYS A 106 -14.511 -4.322 9.371 1.00 0.00 C ATOM 1650 C LYS A 106 -13.145 -3.811 8.908 1.00 0.00 C ATOM 1651 O LYS A 106 -13.000 -2.639 8.566 1.00 0.00 O ATOM 1652 CB LYS A 106 -14.732 -4.205 10.881 1.00 0.00 C ATOM 1653 CG LYS A 106 -14.417 -2.791 11.373 1.00 0.00 C ATOM 1654 CD LYS A 106 -15.203 -2.466 12.645 1.00 0.00 C ATOM 1655 CE LYS A 106 -14.520 -3.059 13.878 1.00 0.00 C ATOM 1656 NZ LYS A 106 -15.511 -3.739 14.743 1.00 0.00 N ATOM 0 H LYS A 106 -14.373 -6.399 9.611 1.00 0.00 H new ATOM 0 HA LYS A 106 -15.264 -3.682 8.911 1.00 0.00 H new ATOM 0 HB2 LYS A 106 -15.765 -4.456 11.121 1.00 0.00 H new ATOM 0 HB3 LYS A 106 -14.100 -4.924 11.402 1.00 0.00 H new ATOM 0 HG2 LYS A 106 -13.348 -2.699 11.568 1.00 0.00 H new ATOM 0 HG3 LYS A 106 -14.662 -2.068 10.595 1.00 0.00 H new ATOM 0 HD2 LYS A 106 -15.289 -1.385 12.757 1.00 0.00 H new ATOM 0 HD3 LYS A 106 -16.216 -2.860 12.561 1.00 0.00 H new ATOM 0 HE2 LYS A 106 -13.751 -3.767 13.570 1.00 0.00 H new ATOM 0 HE3 LYS A 106 -14.020 -2.270 14.439 1.00 0.00 H new ATOM 0 HZ1 LYS A 106 -15.031 -4.136 15.576 1.00 0.00 H new ATOM 0 HZ2 LYS A 106 -16.230 -3.054 15.052 1.00 0.00 H new ATOM 0 HZ3 LYS A 106 -15.969 -4.505 14.210 1.00 0.00 H new ATOM 1670 N GLU A 107 -12.178 -4.717 8.913 1.00 0.00 N ATOM 1671 CA GLU A 107 -10.828 -4.372 8.498 1.00 0.00 C ATOM 1672 C GLU A 107 -10.795 -4.073 6.998 1.00 0.00 C ATOM 1673 O GLU A 107 -10.174 -3.101 6.569 1.00 0.00 O ATOM 1674 CB GLU A 107 -9.843 -5.487 8.856 1.00 0.00 C ATOM 1675 CG GLU A 107 -8.402 -5.054 8.580 1.00 0.00 C ATOM 1676 CD GLU A 107 -7.723 -4.559 9.860 1.00 0.00 C ATOM 1677 OE1 GLU A 107 -8.448 -3.982 10.699 1.00 0.00 O ATOM 1678 OE2 GLU A 107 -6.496 -4.769 9.969 1.00 0.00 O ATOM 0 H GLU A 107 -12.302 -5.689 9.198 1.00 0.00 H new ATOM 0 HA GLU A 107 -10.521 -3.474 9.035 1.00 0.00 H new ATOM 0 HB2 GLU A 107 -9.952 -5.750 9.908 1.00 0.00 H new ATOM 0 HB3 GLU A 107 -10.075 -6.382 8.278 1.00 0.00 H new ATOM 0 HG2 GLU A 107 -7.840 -5.891 8.166 1.00 0.00 H new ATOM 0 HG3 GLU A 107 -8.393 -4.263 7.830 1.00 0.00 H new ATOM 1685 N ARG A 108 -11.470 -4.925 6.241 1.00 0.00 N ATOM 1686 CA ARG A 108 -11.525 -4.764 4.798 1.00 0.00 C ATOM 1687 C ARG A 108 -11.922 -3.330 4.439 1.00 0.00 C ATOM 1688 O ARG A 108 -11.301 -2.707 3.579 1.00 0.00 O ATOM 1689 CB ARG A 108 -12.529 -5.735 4.173 1.00 0.00 C ATOM 1690 CG ARG A 108 -12.622 -5.529 2.660 1.00 0.00 C ATOM 1691 CD ARG A 108 -14.075 -5.337 2.221 1.00 0.00 C ATOM 1692 NE ARG A 108 -14.324 -3.913 1.903 1.00 0.00 N ATOM 1693 CZ ARG A 108 -15.544 -3.381 1.745 1.00 0.00 C ATOM 1694 NH1 ARG A 108 -16.633 -4.151 1.874 1.00 0.00 N ATOM 1695 NH2 ARG A 108 -15.674 -2.079 1.457 1.00 0.00 N ATOM 0 H ARG A 108 -11.984 -5.730 6.600 1.00 0.00 H new ATOM 0 HA ARG A 108 -10.533 -4.981 4.402 1.00 0.00 H new ATOM 0 HB2 ARG A 108 -12.229 -6.761 4.386 1.00 0.00 H new ATOM 0 HB3 ARG A 108 -13.510 -5.590 4.624 1.00 0.00 H new ATOM 0 HG2 ARG A 108 -12.033 -4.659 2.371 1.00 0.00 H new ATOM 0 HG3 ARG A 108 -12.193 -6.389 2.145 1.00 0.00 H new ATOM 0 HD2 ARG A 108 -14.284 -5.955 1.348 1.00 0.00 H new ATOM 0 HD3 ARG A 108 -14.749 -5.665 3.013 1.00 0.00 H new ATOM 0 HE ARG A 108 -13.517 -3.298 1.798 1.00 0.00 H new ATOM 0 HH11 ARG A 108 -16.534 -5.142 2.093 1.00 0.00 H new ATOM 0 HH12 ARG A 108 -17.561 -3.746 1.754 1.00 0.00 H new ATOM 0 HH21 ARG A 108 -14.845 -1.493 1.358 1.00 0.00 H new ATOM 0 HH22 ARG A 108 -16.602 -1.674 1.337 1.00 0.00 H new ATOM 1709 N THR A 109 -12.954 -2.849 5.116 1.00 0.00 N ATOM 1710 CA THR A 109 -13.441 -1.500 4.879 1.00 0.00 C ATOM 1711 C THR A 109 -12.427 -0.471 5.382 1.00 0.00 C ATOM 1712 O THR A 109 -12.170 0.530 4.715 1.00 0.00 O ATOM 1713 CB THR A 109 -14.815 -1.371 5.539 1.00 0.00 C ATOM 1714 OG1 THR A 109 -15.723 -1.834 4.542 1.00 0.00 O ATOM 1715 CG2 THR A 109 -15.222 0.086 5.765 1.00 0.00 C ATOM 0 H THR A 109 -13.467 -3.369 5.828 1.00 0.00 H new ATOM 0 HA THR A 109 -13.556 -1.303 3.813 1.00 0.00 H new ATOM 0 HB THR A 109 -14.810 -1.898 6.493 1.00 0.00 H new ATOM 0 HG1 THR A 109 -16.639 -1.786 4.887 1.00 0.00 H new ATOM 0 HG21 THR A 109 -16.205 0.120 6.236 1.00 0.00 H new ATOM 0 HG22 THR A 109 -14.492 0.571 6.413 1.00 0.00 H new ATOM 0 HG23 THR A 109 -15.260 0.606 4.808 1.00 0.00 H new ATOM 1723 N GLU A 110 -11.877 -0.753 6.554 1.00 0.00 N ATOM 1724 CA GLU A 110 -10.897 0.136 7.154 1.00 0.00 C ATOM 1725 C GLU A 110 -9.690 0.298 6.227 1.00 0.00 C ATOM 1726 O GLU A 110 -9.336 1.414 5.853 1.00 0.00 O ATOM 1727 CB GLU A 110 -10.466 -0.373 8.531 1.00 0.00 C ATOM 1728 CG GLU A 110 -11.547 -0.101 9.579 1.00 0.00 C ATOM 1729 CD GLU A 110 -10.928 0.374 10.895 1.00 0.00 C ATOM 1730 OE1 GLU A 110 -9.937 -0.259 11.317 1.00 0.00 O ATOM 1731 OE2 GLU A 110 -11.461 1.360 11.449 1.00 0.00 O ATOM 0 H GLU A 110 -12.092 -1.585 7.104 1.00 0.00 H new ATOM 0 HA GLU A 110 -11.358 1.114 7.292 1.00 0.00 H new ATOM 0 HB2 GLU A 110 -10.265 -1.443 8.480 1.00 0.00 H new ATOM 0 HB3 GLU A 110 -9.536 0.113 8.828 1.00 0.00 H new ATOM 0 HG2 GLU A 110 -12.239 0.654 9.205 1.00 0.00 H new ATOM 0 HG3 GLU A 110 -12.127 -1.008 9.752 1.00 0.00 H new ATOM 1738 N TRP A 111 -9.091 -0.834 5.885 1.00 0.00 N ATOM 1739 CA TRP A 111 -7.932 -0.831 5.009 1.00 0.00 C ATOM 1740 C TRP A 111 -8.194 0.167 3.879 1.00 0.00 C ATOM 1741 O TRP A 111 -7.470 1.150 3.734 1.00 0.00 O ATOM 1742 CB TRP A 111 -7.625 -2.242 4.501 1.00 0.00 C ATOM 1743 CG TRP A 111 -6.543 -2.969 5.301 1.00 0.00 C ATOM 1744 CD1 TRP A 111 -6.649 -4.124 5.972 1.00 0.00 C ATOM 1745 CD2 TRP A 111 -5.177 -2.541 5.488 1.00 0.00 C ATOM 1746 NE1 TRP A 111 -5.457 -4.471 6.575 1.00 0.00 N ATOM 1747 CE2 TRP A 111 -4.534 -3.477 6.271 1.00 0.00 C ATOM 1748 CE3 TRP A 111 -4.508 -1.401 5.011 1.00 0.00 C ATOM 1749 CZ2 TRP A 111 -3.189 -3.369 6.647 1.00 0.00 C ATOM 1750 CZ3 TRP A 111 -3.165 -1.307 5.394 1.00 0.00 C ATOM 1751 CH2 TRP A 111 -2.503 -2.241 6.183 1.00 0.00 C ATOM 0 H TRP A 111 -9.387 -1.758 6.199 1.00 0.00 H new ATOM 0 HA TRP A 111 -7.040 -0.516 5.551 1.00 0.00 H new ATOM 0 HB2 TRP A 111 -8.540 -2.833 4.526 1.00 0.00 H new ATOM 0 HB3 TRP A 111 -7.313 -2.182 3.458 1.00 0.00 H new ATOM 0 HD1 TRP A 111 -7.554 -4.710 6.033 1.00 0.00 H new ATOM 0 HE1 TRP A 111 -5.285 -5.303 7.139 1.00 0.00 H new ATOM 0 HE3 TRP A 111 -4.992 -0.656 4.397 1.00 0.00 H new ATOM 0 HZ2 TRP A 111 -2.708 -4.115 7.261 1.00 0.00 H new ATOM 0 HZ3 TRP A 111 -2.604 -0.449 5.053 1.00 0.00 H new ATOM 0 HH2 TRP A 111 -1.463 -2.096 6.437 1.00 0.00 H new ATOM 1762 N ILE A 112 -9.233 -0.121 3.109 1.00 0.00 N ATOM 1763 CA ILE A 112 -9.601 0.740 1.997 1.00 0.00 C ATOM 1764 C ILE A 112 -9.442 2.203 2.415 1.00 0.00 C ATOM 1765 O ILE A 112 -8.557 2.901 1.923 1.00 0.00 O ATOM 1766 CB ILE A 112 -11.002 0.393 1.491 1.00 0.00 C ATOM 1767 CG1 ILE A 112 -10.954 -0.766 0.493 1.00 0.00 C ATOM 1768 CG2 ILE A 112 -11.695 1.625 0.906 1.00 0.00 C ATOM 1769 CD1 ILE A 112 -12.064 -1.780 0.776 1.00 0.00 C ATOM 0 H ILE A 112 -9.831 -0.938 3.233 1.00 0.00 H new ATOM 0 HA ILE A 112 -8.933 0.576 1.152 1.00 0.00 H new ATOM 0 HB ILE A 112 -11.599 0.061 2.341 1.00 0.00 H new ATOM 0 HG12 ILE A 112 -11.058 -0.381 -0.522 1.00 0.00 H new ATOM 0 HG13 ILE A 112 -9.983 -1.259 0.549 1.00 0.00 H new ATOM 0 HG21 ILE A 112 -12.689 1.350 0.554 1.00 0.00 H new ATOM 0 HG22 ILE A 112 -11.782 2.393 1.675 1.00 0.00 H new ATOM 0 HG23 ILE A 112 -11.108 2.011 0.072 1.00 0.00 H new ATOM 0 HD11 ILE A 112 -12.007 -2.593 0.052 1.00 0.00 H new ATOM 0 HD12 ILE A 112 -11.943 -2.181 1.782 1.00 0.00 H new ATOM 0 HD13 ILE A 112 -13.034 -1.290 0.695 1.00 0.00 H new ATOM 1781 N LYS A 113 -10.314 2.624 3.320 1.00 0.00 N ATOM 1782 CA LYS A 113 -10.283 3.991 3.810 1.00 0.00 C ATOM 1783 C LYS A 113 -8.863 4.331 4.268 1.00 0.00 C ATOM 1784 O LYS A 113 -8.433 5.479 4.168 1.00 0.00 O ATOM 1785 CB LYS A 113 -11.344 4.197 4.892 1.00 0.00 C ATOM 1786 CG LYS A 113 -12.702 3.657 4.439 1.00 0.00 C ATOM 1787 CD LYS A 113 -13.780 4.739 4.533 1.00 0.00 C ATOM 1788 CE LYS A 113 -14.684 4.507 5.745 1.00 0.00 C ATOM 1789 NZ LYS A 113 -15.177 5.797 6.278 1.00 0.00 N ATOM 0 H LYS A 113 -11.046 2.042 3.726 1.00 0.00 H new ATOM 0 HA LYS A 113 -10.537 4.688 3.011 1.00 0.00 H new ATOM 0 HB2 LYS A 113 -11.036 3.694 5.809 1.00 0.00 H new ATOM 0 HB3 LYS A 113 -11.430 5.258 5.124 1.00 0.00 H new ATOM 0 HG2 LYS A 113 -12.631 3.298 3.412 1.00 0.00 H new ATOM 0 HG3 LYS A 113 -12.983 2.804 5.057 1.00 0.00 H new ATOM 0 HD2 LYS A 113 -13.310 5.720 4.607 1.00 0.00 H new ATOM 0 HD3 LYS A 113 -14.379 4.741 3.623 1.00 0.00 H new ATOM 0 HE2 LYS A 113 -15.528 3.877 5.462 1.00 0.00 H new ATOM 0 HE3 LYS A 113 -14.134 3.973 6.520 1.00 0.00 H new ATOM 0 HZ1 LYS A 113 -15.789 5.622 7.100 1.00 0.00 H new ATOM 0 HZ2 LYS A 113 -14.369 6.385 6.567 1.00 0.00 H new ATOM 0 HZ3 LYS A 113 -15.720 6.292 5.542 1.00 0.00 H new ATOM 1803 N ALA A 114 -8.174 3.312 4.760 1.00 0.00 N ATOM 1804 CA ALA A 114 -6.812 3.489 5.234 1.00 0.00 C ATOM 1805 C ALA A 114 -5.910 3.858 4.054 1.00 0.00 C ATOM 1806 O ALA A 114 -5.267 4.906 4.064 1.00 0.00 O ATOM 1807 CB ALA A 114 -6.349 2.215 5.945 1.00 0.00 C ATOM 0 H ALA A 114 -8.533 2.361 4.841 1.00 0.00 H new ATOM 0 HA ALA A 114 -6.760 4.303 5.957 1.00 0.00 H new ATOM 0 HB1 ALA A 114 -5.327 2.348 6.301 1.00 0.00 H new ATOM 0 HB2 ALA A 114 -7.005 2.012 6.792 1.00 0.00 H new ATOM 0 HB3 ALA A 114 -6.385 1.377 5.249 1.00 0.00 H new ATOM 1813 N ILE A 115 -5.892 2.976 3.065 1.00 0.00 N ATOM 1814 CA ILE A 115 -5.080 3.196 1.881 1.00 0.00 C ATOM 1815 C ILE A 115 -5.511 4.501 1.208 1.00 0.00 C ATOM 1816 O ILE A 115 -4.673 5.255 0.715 1.00 0.00 O ATOM 1817 CB ILE A 115 -5.139 1.978 0.957 1.00 0.00 C ATOM 1818 CG1 ILE A 115 -4.540 0.745 1.636 1.00 0.00 C ATOM 1819 CG2 ILE A 115 -4.469 2.276 -0.386 1.00 0.00 C ATOM 1820 CD1 ILE A 115 -5.524 -0.427 1.610 1.00 0.00 C ATOM 0 H ILE A 115 -6.427 2.108 3.060 1.00 0.00 H new ATOM 0 HA ILE A 115 -4.031 3.309 2.154 1.00 0.00 H new ATOM 0 HB ILE A 115 -6.186 1.755 0.752 1.00 0.00 H new ATOM 0 HG12 ILE A 115 -3.616 0.460 1.132 1.00 0.00 H new ATOM 0 HG13 ILE A 115 -4.280 0.984 2.667 1.00 0.00 H new ATOM 0 HG21 ILE A 115 -4.525 1.394 -1.024 1.00 0.00 H new ATOM 0 HG22 ILE A 115 -4.980 3.108 -0.871 1.00 0.00 H new ATOM 0 HG23 ILE A 115 -3.424 2.539 -0.221 1.00 0.00 H new ATOM 0 HD11 ILE A 115 -5.074 -1.291 2.099 1.00 0.00 H new ATOM 0 HD12 ILE A 115 -6.437 -0.147 2.136 1.00 0.00 H new ATOM 0 HD13 ILE A 115 -5.763 -0.679 0.577 1.00 0.00 H new ATOM 1832 N GLN A 116 -6.816 4.726 1.208 1.00 0.00 N ATOM 1833 CA GLN A 116 -7.369 5.927 0.603 1.00 0.00 C ATOM 1834 C GLN A 116 -6.840 7.172 1.318 1.00 0.00 C ATOM 1835 O GLN A 116 -6.376 8.111 0.674 1.00 0.00 O ATOM 1836 CB GLN A 116 -8.898 5.894 0.617 1.00 0.00 C ATOM 1837 CG GLN A 116 -9.424 4.589 0.015 1.00 0.00 C ATOM 1838 CD GLN A 116 -10.283 4.862 -1.221 1.00 0.00 C ATOM 1839 OE1 GLN A 116 -9.819 5.364 -2.232 1.00 0.00 O ATOM 1840 NE2 GLN A 116 -11.556 4.504 -1.085 1.00 0.00 N ATOM 0 H GLN A 116 -7.507 4.097 1.617 1.00 0.00 H new ATOM 0 HA GLN A 116 -7.050 5.967 -0.438 1.00 0.00 H new ATOM 0 HB2 GLN A 116 -9.258 5.998 1.641 1.00 0.00 H new ATOM 0 HB3 GLN A 116 -9.289 6.742 0.054 1.00 0.00 H new ATOM 0 HG2 GLN A 116 -8.587 3.945 -0.255 1.00 0.00 H new ATOM 0 HG3 GLN A 116 -10.012 4.052 0.759 1.00 0.00 H new ATOM 0 HE21 GLN A 116 -11.878 4.089 -0.211 1.00 0.00 H new ATOM 0 HE22 GLN A 116 -12.210 4.644 -1.855 1.00 0.00 H new ATOM 1849 N MET A 117 -6.930 7.139 2.639 1.00 0.00 N ATOM 1850 CA MET A 117 -6.467 8.254 3.448 1.00 0.00 C ATOM 1851 C MET A 117 -5.055 8.679 3.040 1.00 0.00 C ATOM 1852 O MET A 117 -4.771 9.870 2.919 1.00 0.00 O ATOM 1853 CB MET A 117 -6.472 7.851 4.924 1.00 0.00 C ATOM 1854 CG MET A 117 -5.066 7.939 5.521 1.00 0.00 C ATOM 1855 SD MET A 117 -5.132 7.659 7.283 1.00 0.00 S ATOM 1856 CE MET A 117 -5.851 6.026 7.311 1.00 0.00 C ATOM 0 H MET A 117 -7.316 6.358 3.170 1.00 0.00 H new ATOM 0 HA MET A 117 -7.140 9.097 3.290 1.00 0.00 H new ATOM 0 HB2 MET A 117 -7.148 8.501 5.480 1.00 0.00 H new ATOM 0 HB3 MET A 117 -6.851 6.834 5.026 1.00 0.00 H new ATOM 0 HG2 MET A 117 -4.416 7.201 5.051 1.00 0.00 H new ATOM 0 HG3 MET A 117 -4.636 8.919 5.316 1.00 0.00 H new ATOM 0 HE1 MET A 117 -5.816 5.631 8.326 1.00 0.00 H new ATOM 0 HE2 MET A 117 -6.887 6.079 6.977 1.00 0.00 H new ATOM 0 HE3 MET A 117 -5.289 5.370 6.647 1.00 0.00 H new ATOM 1866 N ALA A 118 -4.206 7.681 2.838 1.00 0.00 N ATOM 1867 CA ALA A 118 -2.831 7.936 2.445 1.00 0.00 C ATOM 1868 C ALA A 118 -2.801 8.425 0.996 1.00 0.00 C ATOM 1869 O ALA A 118 -2.298 9.511 0.713 1.00 0.00 O ATOM 1870 CB ALA A 118 -1.997 6.670 2.651 1.00 0.00 C ATOM 0 H ALA A 118 -4.445 6.694 2.939 1.00 0.00 H new ATOM 0 HA ALA A 118 -2.394 8.718 3.066 1.00 0.00 H new ATOM 0 HB1 ALA A 118 -0.965 6.862 2.356 1.00 0.00 H new ATOM 0 HB2 ALA A 118 -2.026 6.382 3.702 1.00 0.00 H new ATOM 0 HB3 ALA A 118 -2.404 5.863 2.042 1.00 0.00 H new ATOM 1876 N SER A 119 -3.346 7.599 0.115 1.00 0.00 N ATOM 1877 CA SER A 119 -3.388 7.933 -1.298 1.00 0.00 C ATOM 1878 C SER A 119 -3.994 9.325 -1.489 1.00 0.00 C ATOM 1879 O SER A 119 -3.639 10.037 -2.427 1.00 0.00 O ATOM 1880 CB SER A 119 -4.188 6.894 -2.087 1.00 0.00 C ATOM 1881 OG SER A 119 -5.572 6.914 -1.746 1.00 0.00 O ATOM 0 H SER A 119 -3.762 6.699 0.353 1.00 0.00 H new ATOM 0 HA SER A 119 -2.367 7.932 -1.679 1.00 0.00 H new ATOM 0 HB2 SER A 119 -4.075 7.084 -3.154 1.00 0.00 H new ATOM 0 HB3 SER A 119 -3.782 5.901 -1.895 1.00 0.00 H new ATOM 0 HG SER A 119 -5.689 7.360 -0.881 1.00 0.00 H new ATOM 1887 N ARG A 120 -4.898 9.671 -0.584 1.00 0.00 N ATOM 1888 CA ARG A 120 -5.556 10.965 -0.641 1.00 0.00 C ATOM 1889 C ARG A 120 -4.523 12.091 -0.566 1.00 0.00 C ATOM 1890 O ARG A 120 -4.716 13.156 -1.148 1.00 0.00 O ATOM 1891 CB ARG A 120 -6.558 11.125 0.505 1.00 0.00 C ATOM 1892 CG ARG A 120 -7.914 10.519 0.136 1.00 0.00 C ATOM 1893 CD ARG A 120 -8.645 11.393 -0.884 1.00 0.00 C ATOM 1894 NE ARG A 120 -9.839 10.683 -1.396 1.00 0.00 N ATOM 1895 CZ ARG A 120 -9.792 9.670 -2.272 1.00 0.00 C ATOM 1896 NH1 ARG A 120 -8.611 9.243 -2.740 1.00 0.00 N ATOM 1897 NH2 ARG A 120 -10.926 9.085 -2.681 1.00 0.00 N ATOM 0 H ARG A 120 -5.190 9.078 0.193 1.00 0.00 H new ATOM 0 HA ARG A 120 -6.092 11.022 -1.588 1.00 0.00 H new ATOM 0 HB2 ARG A 120 -6.171 10.641 1.402 1.00 0.00 H new ATOM 0 HB3 ARG A 120 -6.680 12.182 0.741 1.00 0.00 H new ATOM 0 HG2 ARG A 120 -7.770 9.519 -0.273 1.00 0.00 H new ATOM 0 HG3 ARG A 120 -8.525 10.412 1.033 1.00 0.00 H new ATOM 0 HD2 ARG A 120 -8.942 12.334 -0.422 1.00 0.00 H new ATOM 0 HD3 ARG A 120 -7.977 11.640 -1.709 1.00 0.00 H new ATOM 0 HE ARG A 120 -10.754 10.984 -1.061 1.00 0.00 H new ATOM 0 HH11 ARG A 120 -7.748 9.689 -2.429 1.00 0.00 H new ATOM 0 HH12 ARG A 120 -8.575 8.472 -3.407 1.00 0.00 H new ATOM 0 HH21 ARG A 120 -11.825 9.411 -2.326 1.00 0.00 H new ATOM 0 HH22 ARG A 120 -10.890 8.314 -3.348 1.00 0.00 H new