USER MOD reduce.3.24.130724 H: found=0, std=0, add=705, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 705 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 47 TYR OH : rot 79:sc= 0.419 USER MOD Set 1.2: A 64 HIS : no HD1:sc= -11.9! C(o=-11!,f=-12!) USER MOD Single : A 20 LYS NZ :NH3+ 146:sc= -2.2 (180deg=-3.74!) USER MOD Single : A 21 GLN : amide:sc= -3.17! C(o=-3.2!,f=-3.6!) USER MOD Single : A 23 CYS SG : rot 25:sc= 0.0114 USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 GLN : amide:sc= -0.0575 K(o=-0.058,f=-1.7!) 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= -4.98! C(o=-5!,f=-7.9!) USER MOD Single : A 50 TYR OH : rot 180:sc= -0.95 USER MOD Single : A 51 TYR OH : rot 180:sc= 0 USER MOD Single : A 68 CYS SG : rot 130:sc= -3.07 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= -1.18 X(o=-1.2,f=-0.75) USER MOD Single : A 92 THR OG1 : rot 142:sc= -1.04 USER MOD Single : A 97 HIS : no HD1:sc= -4.1! C(o=-4.1!,f=-5.5!) USER MOD Single : A 98 TYR OH : rot 174:sc= -0.56 USER MOD Single : A 101 GLN : amide:sc= -5.45! C(o=-5.4!,f=-14!) USER MOD Single : A 104 THR OG1 : rot 180:sc= 0.0125 USER MOD Single : A 106 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 109 THR OG1 : rot 180:sc= -0.419 USER MOD Single : A 113 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 116 GLN :FLIP amide:sc= -2.37! C(o=-3.2!,f=-2.4!) USER MOD Single : A 117 MET CE :methyl 169:sc= -2.85! (180deg=-3.87!) USER MOD Single : A 119 SER OG : rot -23:sc= -0.633 USER MOD ----------------------------------------------------------------- ATOM 223 N VAL A 17 5.371 8.294 7.773 1.00 0.00 N ATOM 224 CA VAL A 17 4.613 7.905 8.950 1.00 0.00 C ATOM 225 C VAL A 17 3.745 6.690 8.615 1.00 0.00 C ATOM 226 O VAL A 17 3.663 6.283 7.457 1.00 0.00 O ATOM 227 CB VAL A 17 3.803 9.095 9.468 1.00 0.00 C ATOM 228 CG1 VAL A 17 2.657 9.435 8.512 1.00 0.00 C ATOM 229 CG2 VAL A 17 3.278 8.828 10.880 1.00 0.00 C ATOM 0 HA VAL A 17 5.285 7.611 9.757 1.00 0.00 H new ATOM 0 HB VAL A 17 4.467 9.958 9.516 1.00 0.00 H new ATOM 0 HG11 VAL A 17 2.097 10.284 8.903 1.00 0.00 H new ATOM 0 HG12 VAL A 17 3.063 9.688 7.533 1.00 0.00 H new ATOM 0 HG13 VAL A 17 1.994 8.575 8.418 1.00 0.00 H new ATOM 0 HG21 VAL A 17 2.706 9.689 11.224 1.00 0.00 H new ATOM 0 HG22 VAL A 17 2.636 7.947 10.869 1.00 0.00 H new ATOM 0 HG23 VAL A 17 4.117 8.657 11.554 1.00 0.00 H new ATOM 239 N ILE A 18 3.119 6.147 9.648 1.00 0.00 N ATOM 240 CA ILE A 18 2.260 4.987 9.477 1.00 0.00 C ATOM 241 C ILE A 18 0.812 5.383 9.771 1.00 0.00 C ATOM 242 O ILE A 18 0.551 6.486 10.250 1.00 0.00 O ATOM 243 CB ILE A 18 2.763 3.818 10.327 1.00 0.00 C ATOM 244 CG1 ILE A 18 4.292 3.773 10.347 1.00 0.00 C ATOM 245 CG2 ILE A 18 2.156 2.496 9.854 1.00 0.00 C ATOM 246 CD1 ILE A 18 4.799 2.877 11.479 1.00 0.00 C ATOM 0 H ILE A 18 3.189 6.488 10.607 1.00 0.00 H new ATOM 0 HA ILE A 18 2.292 4.637 8.445 1.00 0.00 H new ATOM 0 HB ILE A 18 2.433 3.975 11.354 1.00 0.00 H new ATOM 0 HG12 ILE A 18 4.661 3.401 9.391 1.00 0.00 H new ATOM 0 HG13 ILE A 18 4.688 4.781 10.471 1.00 0.00 H new ATOM 0 HG21 ILE A 18 2.530 1.681 10.474 1.00 0.00 H new ATOM 0 HG22 ILE A 18 1.070 2.545 9.935 1.00 0.00 H new ATOM 0 HG23 ILE A 18 2.435 2.318 8.815 1.00 0.00 H new ATOM 0 HD11 ILE A 18 5.889 2.862 11.471 1.00 0.00 H new ATOM 0 HD12 ILE A 18 4.448 3.265 12.435 1.00 0.00 H new ATOM 0 HD13 ILE A 18 4.421 1.864 11.338 1.00 0.00 H new ATOM 258 N ILE A 19 -0.092 4.462 9.472 1.00 0.00 N ATOM 259 CA ILE A 19 -1.507 4.701 9.698 1.00 0.00 C ATOM 260 C ILE A 19 -2.175 3.399 10.144 1.00 0.00 C ATOM 261 O ILE A 19 -2.971 3.395 11.083 1.00 0.00 O ATOM 262 CB ILE A 19 -2.149 5.328 8.459 1.00 0.00 C ATOM 263 CG1 ILE A 19 -1.575 4.722 7.177 1.00 0.00 C ATOM 264 CG2 ILE A 19 -2.013 6.852 8.483 1.00 0.00 C ATOM 265 CD1 ILE A 19 -0.416 5.565 6.643 1.00 0.00 C ATOM 0 H ILE A 19 0.128 3.549 9.075 1.00 0.00 H new ATOM 0 HA ILE A 19 -1.647 5.424 10.502 1.00 0.00 H new ATOM 0 HB ILE A 19 -3.215 5.099 8.474 1.00 0.00 H new ATOM 0 HG12 ILE A 19 -1.231 3.707 7.373 1.00 0.00 H new ATOM 0 HG13 ILE A 19 -2.357 4.653 6.421 1.00 0.00 H new ATOM 0 HG21 ILE A 19 -2.477 7.273 7.591 1.00 0.00 H new ATOM 0 HG22 ILE A 19 -2.507 7.247 9.370 1.00 0.00 H new ATOM 0 HG23 ILE A 19 -0.957 7.123 8.504 1.00 0.00 H new ATOM 0 HD11 ILE A 19 -0.026 5.112 5.731 1.00 0.00 H new ATOM 0 HD12 ILE A 19 -0.769 6.573 6.425 1.00 0.00 H new ATOM 0 HD13 ILE A 19 0.375 5.612 7.392 1.00 0.00 H new ATOM 277 N LYS A 20 -1.827 2.325 9.451 1.00 0.00 N ATOM 278 CA LYS A 20 -2.383 1.019 9.764 1.00 0.00 C ATOM 279 C LYS A 20 -1.342 -0.060 9.460 1.00 0.00 C ATOM 280 O LYS A 20 -0.751 -0.070 8.381 1.00 0.00 O ATOM 281 CB LYS A 20 -3.712 0.814 9.035 1.00 0.00 C ATOM 282 CG LYS A 20 -4.449 -0.414 9.573 1.00 0.00 C ATOM 283 CD LYS A 20 -4.827 -1.368 8.437 1.00 0.00 C ATOM 284 CE LYS A 20 -6.309 -1.740 8.504 1.00 0.00 C ATOM 285 NZ LYS A 20 -7.153 -0.530 8.379 1.00 0.00 N ATOM 0 H LYS A 20 -1.167 2.332 8.674 1.00 0.00 H new ATOM 0 HA LYS A 20 -2.615 0.948 10.827 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -4.337 1.699 9.155 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -3.530 0.694 7.967 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -3.819 -0.934 10.295 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -5.348 -0.100 10.103 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -4.609 -0.900 7.477 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -4.219 -2.270 8.498 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -6.550 -2.443 7.706 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -6.522 -2.243 9.447 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -8.027 -0.768 7.869 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -7.391 -0.173 9.327 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -6.634 0.202 7.854 1.00 0.00 H new ATOM 299 N GLN A 21 -1.150 -0.941 10.430 1.00 0.00 N ATOM 300 CA GLN A 21 -0.190 -2.022 10.280 1.00 0.00 C ATOM 301 C GLN A 21 -0.824 -3.355 10.685 1.00 0.00 C ATOM 302 O GLN A 21 -1.528 -3.431 11.690 1.00 0.00 O ATOM 303 CB GLN A 21 1.077 -1.748 11.092 1.00 0.00 C ATOM 304 CG GLN A 21 1.968 -0.723 10.389 1.00 0.00 C ATOM 305 CD GLN A 21 3.242 -0.459 11.195 1.00 0.00 C ATOM 306 OE1 GLN A 21 4.346 -0.773 10.781 1.00 0.00 O ATOM 307 NE2 GLN A 21 3.028 0.134 12.366 1.00 0.00 N ATOM 0 H GLN A 21 -1.643 -0.929 11.323 1.00 0.00 H new ATOM 0 HA GLN A 21 0.098 -2.083 9.230 1.00 0.00 H new ATOM 0 HB2 GLN A 21 0.806 -1.381 12.082 1.00 0.00 H new ATOM 0 HB3 GLN A 21 1.629 -2.677 11.236 1.00 0.00 H new ATOM 0 HG2 GLN A 21 2.231 -1.085 9.395 1.00 0.00 H new ATOM 0 HG3 GLN A 21 1.419 0.209 10.254 1.00 0.00 H new ATOM 0 HE21 GLN A 21 2.078 0.370 12.652 1.00 0.00 H new ATOM 0 HE22 GLN A 21 3.814 0.353 12.978 1.00 0.00 H new ATOM 316 N GLY A 22 -0.551 -4.372 9.881 1.00 0.00 N ATOM 317 CA GLY A 22 -1.085 -5.697 10.143 1.00 0.00 C ATOM 318 C GLY A 22 -0.562 -6.711 9.124 1.00 0.00 C ATOM 319 O GLY A 22 0.550 -6.569 8.616 1.00 0.00 O ATOM 0 H GLY A 22 0.033 -4.305 9.048 1.00 0.00 H new ATOM 0 HA2 GLY A 22 -0.808 -6.012 11.149 1.00 0.00 H new ATOM 0 HA3 GLY A 22 -2.174 -5.668 10.106 1.00 0.00 H new ATOM 323 N CYS A 23 -1.387 -7.712 8.855 1.00 0.00 N ATOM 324 CA CYS A 23 -1.021 -8.750 7.906 1.00 0.00 C ATOM 325 C CYS A 23 -2.180 -8.933 6.924 1.00 0.00 C ATOM 326 O CYS A 23 -3.340 -8.738 7.285 1.00 0.00 O ATOM 327 CB CYS A 23 -0.657 -10.058 8.610 1.00 0.00 C ATOM 328 SG CYS A 23 -2.065 -10.636 9.625 1.00 0.00 S ATOM 0 H CYS A 23 -2.308 -7.826 9.278 1.00 0.00 H new ATOM 0 HA CYS A 23 -0.127 -8.448 7.360 1.00 0.00 H new ATOM 0 HB2 CYS A 23 -0.394 -10.816 7.873 1.00 0.00 H new ATOM 0 HB3 CYS A 23 0.220 -9.909 9.241 1.00 0.00 H new ATOM 0 HG CYS A 23 -3.174 -10.161 9.140 1.00 0.00 H new ATOM 334 N LEU A 24 -1.827 -9.306 5.703 1.00 0.00 N ATOM 335 CA LEU A 24 -2.823 -9.519 4.667 1.00 0.00 C ATOM 336 C LEU A 24 -2.364 -10.653 3.749 1.00 0.00 C ATOM 337 O LEU A 24 -1.185 -11.003 3.730 1.00 0.00 O ATOM 338 CB LEU A 24 -3.116 -8.211 3.930 1.00 0.00 C ATOM 339 CG LEU A 24 -3.957 -7.185 4.692 1.00 0.00 C ATOM 340 CD1 LEU A 24 -4.239 -5.955 3.826 1.00 0.00 C ATOM 341 CD2 LEU A 24 -5.244 -7.818 5.224 1.00 0.00 C ATOM 0 H LEU A 24 -0.864 -9.466 5.408 1.00 0.00 H new ATOM 0 HA LEU A 24 -3.771 -9.830 5.107 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -2.166 -7.747 3.663 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -3.627 -8.449 2.997 1.00 0.00 H new ATOM 0 HG LEU A 24 -3.384 -6.847 5.555 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -4.838 -5.242 4.392 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -3.297 -5.489 3.538 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -4.783 -6.257 2.931 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -5.823 -7.067 5.762 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -5.832 -8.202 4.390 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -4.995 -8.636 5.900 1.00 0.00 H new ATOM 353 N LEU A 25 -3.320 -11.197 3.010 1.00 0.00 N ATOM 354 CA LEU A 25 -3.029 -12.285 2.092 1.00 0.00 C ATOM 355 C LEU A 25 -3.002 -11.745 0.661 1.00 0.00 C ATOM 356 O LEU A 25 -4.051 -11.507 0.063 1.00 0.00 O ATOM 357 CB LEU A 25 -4.015 -13.437 2.296 1.00 0.00 C ATOM 358 CG LEU A 25 -4.209 -13.905 3.740 1.00 0.00 C ATOM 359 CD1 LEU A 25 -2.904 -14.454 4.319 1.00 0.00 C ATOM 360 CD2 LEU A 25 -4.795 -12.788 4.605 1.00 0.00 C ATOM 0 H LEU A 25 -4.297 -10.904 3.028 1.00 0.00 H new ATOM 0 HA LEU A 25 -2.042 -12.701 2.295 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -4.984 -13.134 1.900 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -3.679 -14.287 1.702 1.00 0.00 H new ATOM 0 HG LEU A 25 -4.930 -14.723 3.739 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -3.070 -14.779 5.346 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -2.568 -15.300 3.720 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -2.143 -13.674 4.304 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -4.923 -13.147 5.626 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -4.118 -11.933 4.603 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -5.762 -12.486 4.203 1.00 0.00 H new ATOM 372 N LYS A 26 -1.792 -11.567 0.152 1.00 0.00 N ATOM 373 CA LYS A 26 -1.614 -11.060 -1.198 1.00 0.00 C ATOM 374 C LYS A 26 -1.690 -12.223 -2.189 1.00 0.00 C ATOM 375 O LYS A 26 -0.801 -13.072 -2.225 1.00 0.00 O ATOM 376 CB LYS A 26 -0.321 -10.249 -1.300 1.00 0.00 C ATOM 377 CG LYS A 26 -0.314 -9.384 -2.562 1.00 0.00 C ATOM 378 CD LYS A 26 1.092 -8.858 -2.859 1.00 0.00 C ATOM 379 CE LYS A 26 1.385 -8.892 -4.360 1.00 0.00 C ATOM 380 NZ LYS A 26 2.791 -9.284 -4.605 1.00 0.00 N ATOM 0 H LYS A 26 -0.925 -11.765 0.651 1.00 0.00 H new ATOM 0 HA LYS A 26 -2.417 -10.369 -1.454 1.00 0.00 H new ATOM 0 HB2 LYS A 26 -0.215 -9.615 -0.420 1.00 0.00 H new ATOM 0 HB3 LYS A 26 0.535 -10.923 -1.312 1.00 0.00 H new ATOM 0 HG2 LYS A 26 -0.674 -9.968 -3.409 1.00 0.00 H new ATOM 0 HG3 LYS A 26 -1.000 -8.547 -2.437 1.00 0.00 H new ATOM 0 HD2 LYS A 26 1.188 -7.837 -2.489 1.00 0.00 H new ATOM 0 HD3 LYS A 26 1.829 -9.460 -2.327 1.00 0.00 H new ATOM 0 HE2 LYS A 26 0.714 -9.596 -4.852 1.00 0.00 H new ATOM 0 HE3 LYS A 26 1.193 -7.912 -4.796 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 2.973 -9.302 -5.629 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 3.427 -8.597 -4.152 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 2.962 -10.229 -4.206 1.00 0.00 H new ATOM 394 N GLN A 27 -2.761 -12.224 -2.970 1.00 0.00 N ATOM 395 CA GLN A 27 -2.965 -13.269 -3.959 1.00 0.00 C ATOM 396 C GLN A 27 -1.875 -13.204 -5.031 1.00 0.00 C ATOM 397 O GLN A 27 -1.191 -12.191 -5.166 1.00 0.00 O ATOM 398 CB GLN A 27 -4.357 -13.168 -4.585 1.00 0.00 C ATOM 399 CG GLN A 27 -5.035 -14.538 -4.638 1.00 0.00 C ATOM 400 CD GLN A 27 -6.207 -14.532 -5.622 1.00 0.00 C ATOM 401 OE1 GLN A 27 -6.314 -13.685 -6.494 1.00 0.00 O ATOM 402 NE2 GLN A 27 -7.076 -15.521 -5.435 1.00 0.00 N ATOM 0 H GLN A 27 -3.496 -11.518 -2.938 1.00 0.00 H new ATOM 0 HA GLN A 27 -2.898 -14.235 -3.458 1.00 0.00 H new ATOM 0 HB2 GLN A 27 -4.970 -12.477 -4.007 1.00 0.00 H new ATOM 0 HB3 GLN A 27 -4.278 -12.758 -5.592 1.00 0.00 H new ATOM 0 HG2 GLN A 27 -4.310 -15.295 -4.935 1.00 0.00 H new ATOM 0 HG3 GLN A 27 -5.391 -14.810 -3.644 1.00 0.00 H new ATOM 0 HE21 GLN A 27 -6.926 -16.197 -4.686 1.00 0.00 H new ATOM 0 HE22 GLN A 27 -7.892 -15.604 -6.041 1.00 0.00 H new ATOM 543 N LYS A 35 -0.597 -16.229 0.658 1.00 0.00 N ATOM 544 CA LYS A 35 0.599 -16.144 1.479 1.00 0.00 C ATOM 545 C LYS A 35 0.490 -14.934 2.408 1.00 0.00 C ATOM 546 O LYS A 35 0.395 -13.798 1.946 1.00 0.00 O ATOM 547 CB LYS A 35 1.852 -16.135 0.601 1.00 0.00 C ATOM 548 CG LYS A 35 2.778 -17.301 0.954 1.00 0.00 C ATOM 549 CD LYS A 35 3.839 -17.506 -0.128 1.00 0.00 C ATOM 550 CE LYS A 35 4.063 -18.994 -0.402 1.00 0.00 C ATOM 551 NZ LYS A 35 5.168 -19.515 0.434 1.00 0.00 N ATOM 0 HA LYS A 35 0.689 -17.026 2.113 1.00 0.00 H new ATOM 0 HB2 LYS A 35 1.565 -16.199 -0.449 1.00 0.00 H new ATOM 0 HB3 LYS A 35 2.384 -15.192 0.730 1.00 0.00 H new ATOM 0 HG2 LYS A 35 3.262 -17.108 1.911 1.00 0.00 H new ATOM 0 HG3 LYS A 35 2.192 -18.213 1.071 1.00 0.00 H new ATOM 0 HD2 LYS A 35 3.529 -17.006 -1.046 1.00 0.00 H new ATOM 0 HD3 LYS A 35 4.776 -17.045 0.185 1.00 0.00 H new ATOM 0 HE2 LYS A 35 3.149 -19.550 -0.194 1.00 0.00 H new ATOM 0 HE3 LYS A 35 4.295 -19.145 -1.456 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 5.307 -20.526 0.235 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 6.043 -18.996 0.216 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 4.932 -19.389 1.439 1.00 0.00 H new ATOM 565 N VAL A 36 0.508 -15.218 3.702 1.00 0.00 N ATOM 566 CA VAL A 36 0.412 -14.167 4.701 1.00 0.00 C ATOM 567 C VAL A 36 1.596 -13.210 4.542 1.00 0.00 C ATOM 568 O VAL A 36 2.720 -13.643 4.294 1.00 0.00 O ATOM 569 CB VAL A 36 0.323 -14.780 6.100 1.00 0.00 C ATOM 570 CG1 VAL A 36 0.565 -13.722 7.178 1.00 0.00 C ATOM 571 CG2 VAL A 36 -1.023 -15.477 6.307 1.00 0.00 C ATOM 0 H VAL A 36 0.588 -16.161 4.082 1.00 0.00 H new ATOM 0 HA VAL A 36 -0.499 -13.586 4.558 1.00 0.00 H new ATOM 0 HB VAL A 36 1.107 -15.532 6.188 1.00 0.00 H new ATOM 0 HG11 VAL A 36 0.496 -14.184 8.163 1.00 0.00 H new ATOM 0 HG12 VAL A 36 1.557 -13.291 7.048 1.00 0.00 H new ATOM 0 HG13 VAL A 36 -0.186 -12.937 7.092 1.00 0.00 H new ATOM 0 HG21 VAL A 36 -1.061 -15.904 7.309 1.00 0.00 H new ATOM 0 HG22 VAL A 36 -1.829 -14.753 6.190 1.00 0.00 H new ATOM 0 HG23 VAL A 36 -1.139 -16.271 5.569 1.00 0.00 H new ATOM 581 N ARG A 37 1.302 -11.927 4.693 1.00 0.00 N ATOM 582 CA ARG A 37 2.328 -10.905 4.569 1.00 0.00 C ATOM 583 C ARG A 37 1.971 -9.688 5.425 1.00 0.00 C ATOM 584 O ARG A 37 0.807 -9.295 5.497 1.00 0.00 O ATOM 585 CB ARG A 37 2.495 -10.465 3.114 1.00 0.00 C ATOM 586 CG ARG A 37 3.105 -11.584 2.268 1.00 0.00 C ATOM 587 CD ARG A 37 3.607 -11.047 0.927 1.00 0.00 C ATOM 588 NE ARG A 37 3.102 -11.893 -0.178 1.00 0.00 N ATOM 589 CZ ARG A 37 3.550 -11.828 -1.439 1.00 0.00 C ATOM 590 NH1 ARG A 37 4.515 -10.956 -1.763 1.00 0.00 N ATOM 591 NH2 ARG A 37 3.033 -12.634 -2.376 1.00 0.00 N ATOM 0 H ARG A 37 0.369 -11.572 4.900 1.00 0.00 H new ATOM 0 HA ARG A 37 3.267 -11.335 4.916 1.00 0.00 H new ATOM 0 HB2 ARG A 37 1.526 -10.181 2.703 1.00 0.00 H new ATOM 0 HB3 ARG A 37 3.132 -9.582 3.069 1.00 0.00 H new ATOM 0 HG2 ARG A 37 3.930 -12.046 2.810 1.00 0.00 H new ATOM 0 HG3 ARG A 37 2.361 -12.362 2.097 1.00 0.00 H new ATOM 0 HD2 ARG A 37 3.274 -10.018 0.790 1.00 0.00 H new ATOM 0 HD3 ARG A 37 4.697 -11.033 0.916 1.00 0.00 H new ATOM 0 HE ARG A 37 2.367 -12.568 0.034 1.00 0.00 H new ATOM 0 HH11 ARG A 37 4.908 -10.342 -1.050 1.00 0.00 H new ATOM 0 HH12 ARG A 37 4.856 -10.906 -2.723 1.00 0.00 H new ATOM 0 HH21 ARG A 37 2.298 -13.297 -2.129 1.00 0.00 H new ATOM 0 HH22 ARG A 37 3.374 -12.584 -3.336 1.00 0.00 H new ATOM 605 N LYS A 38 2.993 -9.125 6.053 1.00 0.00 N ATOM 606 CA LYS A 38 2.802 -7.961 6.901 1.00 0.00 C ATOM 607 C LYS A 38 2.741 -6.705 6.030 1.00 0.00 C ATOM 608 O LYS A 38 3.775 -6.156 5.653 1.00 0.00 O ATOM 609 CB LYS A 38 3.879 -7.906 7.986 1.00 0.00 C ATOM 610 CG LYS A 38 3.769 -6.616 8.802 1.00 0.00 C ATOM 611 CD LYS A 38 4.144 -6.860 10.265 1.00 0.00 C ATOM 612 CE LYS A 38 4.432 -5.541 10.985 1.00 0.00 C ATOM 613 NZ LYS A 38 5.836 -5.502 11.454 1.00 0.00 N ATOM 0 H LYS A 38 3.957 -9.454 5.991 1.00 0.00 H new ATOM 0 HA LYS A 38 1.852 -8.028 7.431 1.00 0.00 H new ATOM 0 HB2 LYS A 38 3.780 -8.768 8.646 1.00 0.00 H new ATOM 0 HB3 LYS A 38 4.866 -7.968 7.527 1.00 0.00 H new ATOM 0 HG2 LYS A 38 4.424 -5.855 8.377 1.00 0.00 H new ATOM 0 HG3 LYS A 38 2.751 -6.230 8.743 1.00 0.00 H new ATOM 0 HD2 LYS A 38 3.332 -7.384 10.770 1.00 0.00 H new ATOM 0 HD3 LYS A 38 5.021 -7.505 10.317 1.00 0.00 H new ATOM 0 HE2 LYS A 38 4.244 -4.704 10.312 1.00 0.00 H new ATOM 0 HE3 LYS A 38 3.756 -5.427 11.832 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 6.015 -4.600 11.940 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 6.004 -6.290 12.112 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 6.477 -5.589 10.639 1.00 0.00 H new ATOM 627 N PHE A 39 1.519 -6.287 5.735 1.00 0.00 N ATOM 628 CA PHE A 39 1.310 -5.106 4.915 1.00 0.00 C ATOM 629 C PHE A 39 1.285 -3.840 5.773 1.00 0.00 C ATOM 630 O PHE A 39 0.429 -3.692 6.643 1.00 0.00 O ATOM 631 CB PHE A 39 -0.049 -5.270 4.231 1.00 0.00 C ATOM 632 CG PHE A 39 0.021 -5.949 2.862 1.00 0.00 C ATOM 633 CD1 PHE A 39 0.116 -7.303 2.778 1.00 0.00 C ATOM 634 CD2 PHE A 39 -0.011 -5.198 1.728 1.00 0.00 C ATOM 635 CE1 PHE A 39 0.182 -7.932 1.506 1.00 0.00 C ATOM 636 CE2 PHE A 39 0.054 -5.827 0.457 1.00 0.00 C ATOM 637 CZ PHE A 39 0.149 -7.181 0.373 1.00 0.00 C ATOM 0 H PHE A 39 0.664 -6.745 6.049 1.00 0.00 H new ATOM 0 HA PHE A 39 2.120 -5.008 4.192 1.00 0.00 H new ATOM 0 HB2 PHE A 39 -0.703 -5.852 4.880 1.00 0.00 H new ATOM 0 HB3 PHE A 39 -0.507 -4.288 4.115 1.00 0.00 H new ATOM 0 HD1 PHE A 39 0.141 -7.900 3.678 1.00 0.00 H new ATOM 0 HD2 PHE A 39 -0.086 -4.123 1.795 1.00 0.00 H new ATOM 0 HE1 PHE A 39 0.258 -9.007 1.439 1.00 0.00 H new ATOM 0 HE2 PHE A 39 0.028 -5.230 -0.443 1.00 0.00 H new ATOM 0 HZ PHE A 39 0.198 -7.660 -0.594 1.00 0.00 H new ATOM 647 N ILE A 40 2.236 -2.958 5.499 1.00 0.00 N ATOM 648 CA ILE A 40 2.335 -1.710 6.235 1.00 0.00 C ATOM 649 C ILE A 40 1.990 -0.545 5.304 1.00 0.00 C ATOM 650 O ILE A 40 2.538 -0.438 4.209 1.00 0.00 O ATOM 651 CB ILE A 40 3.709 -1.584 6.894 1.00 0.00 C ATOM 652 CG1 ILE A 40 3.963 -2.742 7.861 1.00 0.00 C ATOM 653 CG2 ILE A 40 3.868 -0.223 7.576 1.00 0.00 C ATOM 654 CD1 ILE A 40 5.450 -2.860 8.198 1.00 0.00 C ATOM 0 H ILE A 40 2.945 -3.084 4.777 1.00 0.00 H new ATOM 0 HA ILE A 40 1.613 -1.691 7.051 1.00 0.00 H new ATOM 0 HB ILE A 40 4.468 -1.644 6.114 1.00 0.00 H new ATOM 0 HG12 ILE A 40 3.390 -2.589 8.776 1.00 0.00 H new ATOM 0 HG13 ILE A 40 3.612 -3.674 7.418 1.00 0.00 H new ATOM 0 HG21 ILE A 40 4.854 -0.160 8.037 1.00 0.00 H new ATOM 0 HG22 ILE A 40 3.762 0.570 6.835 1.00 0.00 H new ATOM 0 HG23 ILE A 40 3.101 -0.108 8.342 1.00 0.00 H new ATOM 0 HD11 ILE A 40 5.602 -3.691 8.887 1.00 0.00 H new ATOM 0 HD12 ILE A 40 6.017 -3.038 7.284 1.00 0.00 H new ATOM 0 HD13 ILE A 40 5.792 -1.936 8.663 1.00 0.00 H new ATOM 666 N LEU A 41 1.082 0.298 5.775 1.00 0.00 N ATOM 667 CA LEU A 41 0.658 1.450 4.998 1.00 0.00 C ATOM 668 C LEU A 41 1.222 2.723 5.633 1.00 0.00 C ATOM 669 O LEU A 41 1.161 2.895 6.849 1.00 0.00 O ATOM 670 CB LEU A 41 -0.865 1.462 4.846 1.00 0.00 C ATOM 671 CG LEU A 41 -1.458 2.678 4.131 1.00 0.00 C ATOM 672 CD1 LEU A 41 -1.297 2.555 2.615 1.00 0.00 C ATOM 673 CD2 LEU A 41 -2.916 2.896 4.538 1.00 0.00 C ATOM 0 H LEU A 41 0.629 0.206 6.684 1.00 0.00 H new ATOM 0 HA LEU A 41 1.057 1.394 3.985 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -1.163 0.565 4.303 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -1.310 1.396 5.839 1.00 0.00 H new ATOM 0 HG LEU A 41 -0.902 3.562 4.442 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -1.727 3.432 2.131 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -0.238 2.486 2.366 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -1.811 1.660 2.266 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -3.313 3.766 4.016 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -3.503 2.016 4.275 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -2.973 3.062 5.614 1.00 0.00 H new ATOM 685 N ARG A 42 1.760 3.583 4.780 1.00 0.00 N ATOM 686 CA ARG A 42 2.335 4.835 5.241 1.00 0.00 C ATOM 687 C ARG A 42 1.924 5.981 4.315 1.00 0.00 C ATOM 688 O ARG A 42 2.095 5.893 3.100 1.00 0.00 O ATOM 689 CB ARG A 42 3.862 4.753 5.295 1.00 0.00 C ATOM 690 CG ARG A 42 4.414 4.016 4.073 1.00 0.00 C ATOM 691 CD ARG A 42 4.540 2.516 4.348 1.00 0.00 C ATOM 692 NE ARG A 42 5.522 2.281 5.431 1.00 0.00 N ATOM 693 CZ ARG A 42 6.845 2.195 5.240 1.00 0.00 C ATOM 694 NH1 ARG A 42 7.354 2.325 4.008 1.00 0.00 N ATOM 695 NH2 ARG A 42 7.660 1.980 6.282 1.00 0.00 N ATOM 0 H ARG A 42 1.810 3.437 3.772 1.00 0.00 H new ATOM 0 HA ARG A 42 1.957 5.023 6.246 1.00 0.00 H new ATOM 0 HB2 ARG A 42 4.283 5.758 5.339 1.00 0.00 H new ATOM 0 HB3 ARG A 42 4.170 4.238 6.205 1.00 0.00 H new ATOM 0 HG2 ARG A 42 3.757 4.179 3.218 1.00 0.00 H new ATOM 0 HG3 ARG A 42 5.389 4.424 3.808 1.00 0.00 H new ATOM 0 HD2 ARG A 42 3.570 2.107 4.630 1.00 0.00 H new ATOM 0 HD3 ARG A 42 4.854 1.997 3.442 1.00 0.00 H new ATOM 0 HE ARG A 42 5.169 2.178 6.382 1.00 0.00 H new ATOM 0 HH11 ARG A 42 6.734 2.490 3.215 1.00 0.00 H new ATOM 0 HH12 ARG A 42 8.362 2.259 3.863 1.00 0.00 H new ATOM 0 HH21 ARG A 42 7.273 1.882 7.221 1.00 0.00 H new ATOM 0 HH22 ARG A 42 8.667 1.915 6.136 1.00 0.00 H new ATOM 709 N GLU A 43 1.391 7.030 4.924 1.00 0.00 N ATOM 710 CA GLU A 43 0.955 8.192 4.169 1.00 0.00 C ATOM 711 C GLU A 43 1.960 9.334 4.326 1.00 0.00 C ATOM 712 O GLU A 43 2.471 9.571 5.419 1.00 0.00 O ATOM 713 CB GLU A 43 -0.446 8.631 4.600 1.00 0.00 C ATOM 714 CG GLU A 43 -0.455 9.076 6.064 1.00 0.00 C ATOM 715 CD GLU A 43 -0.807 10.561 6.183 1.00 0.00 C ATOM 716 OE1 GLU A 43 -1.834 10.950 5.588 1.00 0.00 O ATOM 717 OE2 GLU A 43 -0.040 11.272 6.868 1.00 0.00 O ATOM 0 H GLU A 43 1.251 7.099 5.932 1.00 0.00 H new ATOM 0 HA GLU A 43 0.906 7.919 3.115 1.00 0.00 H new ATOM 0 HB2 GLU A 43 -0.786 9.449 3.965 1.00 0.00 H new ATOM 0 HB3 GLU A 43 -1.147 7.808 4.462 1.00 0.00 H new ATOM 0 HG2 GLU A 43 -1.177 8.481 6.624 1.00 0.00 H new ATOM 0 HG3 GLU A 43 0.523 8.893 6.509 1.00 0.00 H new ATOM 724 N ASP A 44 2.214 10.013 3.216 1.00 0.00 N ATOM 725 CA ASP A 44 3.149 11.125 3.216 1.00 0.00 C ATOM 726 C ASP A 44 4.516 10.636 3.698 1.00 0.00 C ATOM 727 O ASP A 44 4.899 10.878 4.841 1.00 0.00 O ATOM 728 CB ASP A 44 2.684 12.235 4.161 1.00 0.00 C ATOM 729 CG ASP A 44 2.179 13.503 3.471 1.00 0.00 C ATOM 730 OD1 ASP A 44 2.424 13.621 2.251 1.00 0.00 O ATOM 731 OD2 ASP A 44 1.560 14.327 4.178 1.00 0.00 O ATOM 0 H ASP A 44 1.788 9.814 2.311 1.00 0.00 H new ATOM 0 HA ASP A 44 3.208 11.517 2.200 1.00 0.00 H new ATOM 0 HB2 ASP A 44 1.888 11.843 4.794 1.00 0.00 H new ATOM 0 HB3 ASP A 44 3.512 12.502 4.818 1.00 0.00 H new ATOM 736 N PRO A 45 5.234 9.938 2.777 1.00 0.00 N ATOM 737 CA PRO A 45 4.706 9.695 1.445 1.00 0.00 C ATOM 738 C PRO A 45 3.624 8.614 1.472 1.00 0.00 C ATOM 739 O PRO A 45 3.426 7.954 2.492 1.00 0.00 O ATOM 740 CB PRO A 45 5.914 9.305 0.609 1.00 0.00 C ATOM 741 CG PRO A 45 6.991 8.893 1.599 1.00 0.00 C ATOM 742 CD PRO A 45 6.560 9.363 2.979 1.00 0.00 C ATOM 0 HA PRO A 45 4.211 10.570 1.023 1.00 0.00 H new ATOM 0 HB2 PRO A 45 5.672 8.486 -0.068 1.00 0.00 H new ATOM 0 HB3 PRO A 45 6.249 10.140 -0.007 1.00 0.00 H new ATOM 0 HG2 PRO A 45 7.125 7.811 1.589 1.00 0.00 H new ATOM 0 HG3 PRO A 45 7.949 9.336 1.327 1.00 0.00 H new ATOM 0 HD2 PRO A 45 6.529 8.535 3.687 1.00 0.00 H new ATOM 0 HD3 PRO A 45 7.255 10.101 3.381 1.00 0.00 H new ATOM 750 N ALA A 46 2.952 8.465 0.340 1.00 0.00 N ATOM 751 CA ALA A 46 1.895 7.476 0.221 1.00 0.00 C ATOM 752 C ALA A 46 2.461 6.206 -0.417 1.00 0.00 C ATOM 753 O ALA A 46 2.642 6.145 -1.632 1.00 0.00 O ATOM 754 CB ALA A 46 0.733 8.064 -0.581 1.00 0.00 C ATOM 0 H ALA A 46 3.119 9.013 -0.504 1.00 0.00 H new ATOM 0 HA ALA A 46 1.508 7.207 1.204 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -0.060 7.322 -0.670 1.00 0.00 H new ATOM 0 HB2 ALA A 46 0.348 8.947 -0.070 1.00 0.00 H new ATOM 0 HB3 ALA A 46 1.082 8.344 -1.575 1.00 0.00 H new ATOM 760 N TYR A 47 2.724 5.222 0.431 1.00 0.00 N ATOM 761 CA TYR A 47 3.265 3.957 -0.035 1.00 0.00 C ATOM 762 C TYR A 47 2.776 2.797 0.835 1.00 0.00 C ATOM 763 O TYR A 47 2.271 3.012 1.936 1.00 0.00 O ATOM 764 CB TYR A 47 4.785 4.073 0.099 1.00 0.00 C ATOM 765 CG TYR A 47 5.477 4.644 -1.141 1.00 0.00 C ATOM 766 CD1 TYR A 47 5.361 3.997 -2.354 1.00 0.00 C ATOM 767 CD2 TYR A 47 6.217 5.805 -1.045 1.00 0.00 C ATOM 768 CE1 TYR A 47 6.012 4.534 -3.521 1.00 0.00 C ATOM 769 CE2 TYR A 47 6.868 6.342 -2.212 1.00 0.00 C ATOM 770 CZ TYR A 47 6.734 5.679 -3.392 1.00 0.00 C ATOM 771 OH TYR A 47 7.349 6.186 -4.494 1.00 0.00 O ATOM 0 H TYR A 47 2.572 5.276 1.438 1.00 0.00 H new ATOM 0 HA TYR A 47 2.949 3.759 -1.059 1.00 0.00 H new ATOM 0 HB2 TYR A 47 5.017 4.706 0.956 1.00 0.00 H new ATOM 0 HB3 TYR A 47 5.197 3.086 0.311 1.00 0.00 H new ATOM 0 HD1 TYR A 47 4.782 3.088 -2.428 1.00 0.00 H new ATOM 0 HD2 TYR A 47 6.308 6.311 -0.095 1.00 0.00 H new ATOM 0 HE1 TYR A 47 5.929 4.038 -4.477 1.00 0.00 H new ATOM 0 HE2 TYR A 47 7.449 7.250 -2.152 1.00 0.00 H new ATOM 0 HH TYR A 47 6.694 6.667 -5.042 1.00 0.00 H new ATOM 781 N LEU A 48 2.943 1.593 0.308 1.00 0.00 N ATOM 782 CA LEU A 48 2.524 0.399 1.023 1.00 0.00 C ATOM 783 C LEU A 48 3.573 -0.698 0.832 1.00 0.00 C ATOM 784 O LEU A 48 3.732 -1.225 -0.268 1.00 0.00 O ATOM 785 CB LEU A 48 1.115 -0.016 0.595 1.00 0.00 C ATOM 786 CG LEU A 48 0.675 -1.421 1.009 1.00 0.00 C ATOM 787 CD1 LEU A 48 1.387 -2.487 0.175 1.00 0.00 C ATOM 788 CD2 LEU A 48 0.876 -1.638 2.510 1.00 0.00 C ATOM 0 H LEU A 48 3.362 1.418 -0.605 1.00 0.00 H new ATOM 0 HA LEU A 48 2.461 0.598 2.093 1.00 0.00 H new ATOM 0 HB2 LEU A 48 0.405 0.702 1.007 1.00 0.00 H new ATOM 0 HB3 LEU A 48 1.050 0.059 -0.490 1.00 0.00 H new ATOM 0 HG LEU A 48 -0.392 -1.517 0.810 1.00 0.00 H new ATOM 0 HD11 LEU A 48 1.056 -3.477 0.490 1.00 0.00 H new ATOM 0 HD12 LEU A 48 1.149 -2.343 -0.879 1.00 0.00 H new ATOM 0 HD13 LEU A 48 2.464 -2.402 0.319 1.00 0.00 H new ATOM 0 HD21 LEU A 48 0.555 -2.645 2.778 1.00 0.00 H new ATOM 0 HD22 LEU A 48 1.930 -1.515 2.757 1.00 0.00 H new ATOM 0 HD23 LEU A 48 0.286 -0.909 3.065 1.00 0.00 H new ATOM 800 N HIS A 49 4.261 -1.011 1.920 1.00 0.00 N ATOM 801 CA HIS A 49 5.290 -2.036 1.886 1.00 0.00 C ATOM 802 C HIS A 49 4.784 -3.295 2.592 1.00 0.00 C ATOM 803 O HIS A 49 3.996 -3.209 3.533 1.00 0.00 O ATOM 804 CB HIS A 49 6.600 -1.511 2.477 1.00 0.00 C ATOM 805 CG HIS A 49 7.243 -0.412 1.665 1.00 0.00 C ATOM 806 ND1 HIS A 49 6.696 0.854 1.552 1.00 0.00 N ATOM 807 CD2 HIS A 49 8.392 -0.403 0.929 1.00 0.00 C ATOM 808 CE1 HIS A 49 7.488 1.584 0.780 1.00 0.00 C ATOM 809 NE2 HIS A 49 8.538 0.803 0.395 1.00 0.00 N ATOM 0 H HIS A 49 4.126 -0.573 2.831 1.00 0.00 H new ATOM 0 HA HIS A 49 5.507 -2.304 0.852 1.00 0.00 H new ATOM 0 HB2 HIS A 49 6.410 -1.141 3.484 1.00 0.00 H new ATOM 0 HB3 HIS A 49 7.303 -2.339 2.569 1.00 0.00 H new ATOM 0 HD2 HIS A 49 9.068 -1.236 0.803 1.00 0.00 H new ATOM 0 HE1 HIS A 49 7.330 2.616 0.504 1.00 0.00 H new ATOM 0 HE2 HIS A 49 9.309 1.098 -0.205 1.00 0.00 H new ATOM 817 N TYR A 50 5.258 -4.436 2.112 1.00 0.00 N ATOM 818 CA TYR A 50 4.863 -5.711 2.685 1.00 0.00 C ATOM 819 C TYR A 50 6.083 -6.596 2.948 1.00 0.00 C ATOM 820 O TYR A 50 6.829 -6.920 2.025 1.00 0.00 O ATOM 821 CB TYR A 50 3.973 -6.386 1.640 1.00 0.00 C ATOM 822 CG TYR A 50 4.579 -6.419 0.235 1.00 0.00 C ATOM 823 CD1 TYR A 50 4.458 -5.322 -0.594 1.00 0.00 C ATOM 824 CD2 TYR A 50 5.246 -7.545 -0.203 1.00 0.00 C ATOM 825 CE1 TYR A 50 5.029 -5.353 -1.916 1.00 0.00 C ATOM 826 CE2 TYR A 50 5.817 -7.576 -1.524 1.00 0.00 C ATOM 827 CZ TYR A 50 5.680 -6.478 -2.316 1.00 0.00 C ATOM 828 OH TYR A 50 6.218 -6.507 -3.565 1.00 0.00 O ATOM 0 H TYR A 50 5.912 -4.503 1.332 1.00 0.00 H new ATOM 0 HA TYR A 50 4.351 -5.562 3.636 1.00 0.00 H new ATOM 0 HB2 TYR A 50 3.766 -7.407 1.959 1.00 0.00 H new ATOM 0 HB3 TYR A 50 3.017 -5.864 1.600 1.00 0.00 H new ATOM 0 HD1 TYR A 50 3.936 -4.441 -0.252 1.00 0.00 H new ATOM 0 HD2 TYR A 50 5.340 -8.403 0.446 1.00 0.00 H new ATOM 0 HE1 TYR A 50 4.942 -4.502 -2.575 1.00 0.00 H new ATOM 0 HE2 TYR A 50 6.342 -8.451 -1.878 1.00 0.00 H new ATOM 0 HH TYR A 50 6.653 -7.372 -3.714 1.00 0.00 H new ATOM 838 N TYR A 51 6.249 -6.961 4.210 1.00 0.00 N ATOM 839 CA TYR A 51 7.366 -7.802 4.605 1.00 0.00 C ATOM 840 C TYR A 51 6.893 -9.216 4.951 1.00 0.00 C ATOM 841 O TYR A 51 5.694 -9.457 5.086 1.00 0.00 O ATOM 842 CB TYR A 51 7.958 -7.155 5.859 1.00 0.00 C ATOM 843 CG TYR A 51 8.171 -5.644 5.738 1.00 0.00 C ATOM 844 CD1 TYR A 51 7.114 -4.780 5.941 1.00 0.00 C ATOM 845 CD2 TYR A 51 9.420 -5.146 5.425 1.00 0.00 C ATOM 846 CE1 TYR A 51 7.315 -3.359 5.827 1.00 0.00 C ATOM 847 CE2 TYR A 51 9.620 -3.725 5.311 1.00 0.00 C ATOM 848 CZ TYR A 51 8.557 -2.901 5.518 1.00 0.00 C ATOM 849 OH TYR A 51 8.747 -1.559 5.410 1.00 0.00 O ATOM 0 H TYR A 51 5.629 -6.690 4.973 1.00 0.00 H new ATOM 0 HA TYR A 51 8.090 -7.884 3.794 1.00 0.00 H new ATOM 0 HB2 TYR A 51 7.298 -7.352 6.703 1.00 0.00 H new ATOM 0 HB3 TYR A 51 8.913 -7.629 6.084 1.00 0.00 H new ATOM 0 HD1 TYR A 51 6.137 -5.170 6.185 1.00 0.00 H new ATOM 0 HD2 TYR A 51 10.247 -5.822 5.266 1.00 0.00 H new ATOM 0 HE1 TYR A 51 6.497 -2.672 5.984 1.00 0.00 H new ATOM 0 HE2 TYR A 51 10.592 -3.322 5.067 1.00 0.00 H new ATOM 0 HH TYR A 51 9.684 -1.378 5.186 1.00 0.00 H new ATOM 859 N ASP A 52 7.859 -10.113 5.084 1.00 0.00 N ATOM 860 CA ASP A 52 7.556 -11.496 5.411 1.00 0.00 C ATOM 861 C ASP A 52 7.297 -11.614 6.915 1.00 0.00 C ATOM 862 O ASP A 52 8.016 -11.026 7.721 1.00 0.00 O ATOM 863 CB ASP A 52 8.728 -12.414 5.060 1.00 0.00 C ATOM 864 CG ASP A 52 8.645 -13.823 5.650 1.00 0.00 C ATOM 865 OD1 ASP A 52 7.854 -14.621 5.103 1.00 0.00 O ATOM 866 OD2 ASP A 52 9.375 -14.070 6.634 1.00 0.00 O ATOM 0 H ASP A 52 8.852 -9.909 4.971 1.00 0.00 H new ATOM 0 HA ASP A 52 6.679 -11.795 4.836 1.00 0.00 H new ATOM 0 HB2 ASP A 52 8.795 -12.494 3.975 1.00 0.00 H new ATOM 0 HB3 ASP A 52 9.651 -11.947 5.403 1.00 0.00 H new ATOM 871 N PRO A 53 6.239 -12.399 7.255 1.00 0.00 N ATOM 872 CA PRO A 53 5.876 -12.603 8.647 1.00 0.00 C ATOM 873 C PRO A 53 6.852 -13.560 9.334 1.00 0.00 C ATOM 874 O PRO A 53 7.162 -13.395 10.513 1.00 0.00 O ATOM 875 CB PRO A 53 4.452 -13.134 8.608 1.00 0.00 C ATOM 876 CG PRO A 53 4.237 -13.646 7.194 1.00 0.00 C ATOM 877 CD PRO A 53 5.366 -13.111 6.327 1.00 0.00 C ATOM 0 HA PRO A 53 5.930 -11.686 9.234 1.00 0.00 H new ATOM 0 HB2 PRO A 53 4.313 -13.932 9.338 1.00 0.00 H new ATOM 0 HB3 PRO A 53 3.736 -12.350 8.852 1.00 0.00 H new ATOM 0 HG2 PRO A 53 4.229 -14.736 7.180 1.00 0.00 H new ATOM 0 HG3 PRO A 53 3.272 -13.315 6.811 1.00 0.00 H new ATOM 0 HD2 PRO A 53 5.897 -13.920 5.825 1.00 0.00 H new ATOM 0 HD3 PRO A 53 4.988 -12.447 5.550 1.00 0.00 H new ATOM 885 N ALA A 54 7.310 -14.539 8.568 1.00 0.00 N ATOM 886 CA ALA A 54 8.245 -15.522 9.088 1.00 0.00 C ATOM 887 C ALA A 54 9.427 -14.801 9.739 1.00 0.00 C ATOM 888 O ALA A 54 9.946 -15.249 10.760 1.00 0.00 O ATOM 889 CB ALA A 54 8.682 -16.458 7.960 1.00 0.00 C ATOM 0 H ALA A 54 7.051 -14.673 7.591 1.00 0.00 H new ATOM 0 HA ALA A 54 7.771 -16.135 9.854 1.00 0.00 H new ATOM 0 HB1 ALA A 54 9.383 -17.195 8.350 1.00 0.00 H new ATOM 0 HB2 ALA A 54 7.809 -16.968 7.552 1.00 0.00 H new ATOM 0 HB3 ALA A 54 9.165 -15.879 7.173 1.00 0.00 H new ATOM 895 N GLY A 55 9.818 -13.696 9.121 1.00 0.00 N ATOM 896 CA GLY A 55 10.929 -12.908 9.628 1.00 0.00 C ATOM 897 C GLY A 55 11.393 -11.884 8.590 1.00 0.00 C ATOM 898 O GLY A 55 10.787 -10.823 8.447 1.00 0.00 O ATOM 0 H GLY A 55 9.385 -13.328 8.274 1.00 0.00 H new ATOM 0 HA2 GLY A 55 10.629 -12.395 10.541 1.00 0.00 H new ATOM 0 HA3 GLY A 55 11.757 -13.567 9.890 1.00 0.00 H new ATOM 902 N ALA A 56 12.463 -12.237 7.894 1.00 0.00 N ATOM 903 CA ALA A 56 13.015 -11.361 6.874 1.00 0.00 C ATOM 904 C ALA A 56 13.468 -10.052 7.523 1.00 0.00 C ATOM 905 O ALA A 56 13.546 -9.956 8.747 1.00 0.00 O ATOM 906 CB ALA A 56 11.973 -11.137 5.776 1.00 0.00 C ATOM 0 H ALA A 56 12.963 -13.118 8.016 1.00 0.00 H new ATOM 0 HA ALA A 56 13.888 -11.817 6.407 1.00 0.00 H new ATOM 0 HB1 ALA A 56 12.386 -10.480 5.011 1.00 0.00 H new ATOM 0 HB2 ALA A 56 11.706 -12.094 5.327 1.00 0.00 H new ATOM 0 HB3 ALA A 56 11.083 -10.677 6.207 1.00 0.00 H new ATOM 912 N GLU A 57 13.756 -9.076 6.674 1.00 0.00 N ATOM 913 CA GLU A 57 14.200 -7.777 7.150 1.00 0.00 C ATOM 914 C GLU A 57 13.800 -6.684 6.158 1.00 0.00 C ATOM 915 O GLU A 57 13.105 -5.736 6.521 1.00 0.00 O ATOM 916 CB GLU A 57 15.711 -7.770 7.394 1.00 0.00 C ATOM 917 CG GLU A 57 16.184 -6.391 7.857 1.00 0.00 C ATOM 918 CD GLU A 57 16.160 -6.287 9.383 1.00 0.00 C ATOM 919 OE1 GLU A 57 15.043 -6.131 9.924 1.00 0.00 O ATOM 920 OE2 GLU A 57 17.258 -6.365 9.975 1.00 0.00 O ATOM 0 H GLU A 57 13.690 -9.159 5.659 1.00 0.00 H new ATOM 0 HA GLU A 57 13.710 -7.573 8.102 1.00 0.00 H new ATOM 0 HB2 GLU A 57 15.965 -8.517 8.146 1.00 0.00 H new ATOM 0 HB3 GLU A 57 16.232 -8.049 6.478 1.00 0.00 H new ATOM 0 HG2 GLU A 57 17.195 -6.208 7.492 1.00 0.00 H new ATOM 0 HG3 GLU A 57 15.545 -5.620 7.426 1.00 0.00 H new ATOM 927 N ASP A 58 14.255 -6.851 4.925 1.00 0.00 N ATOM 928 CA ASP A 58 13.953 -5.890 3.878 1.00 0.00 C ATOM 929 C ASP A 58 12.550 -6.163 3.331 1.00 0.00 C ATOM 930 O ASP A 58 12.061 -7.290 3.400 1.00 0.00 O ATOM 931 CB ASP A 58 14.944 -6.009 2.719 1.00 0.00 C ATOM 932 CG ASP A 58 16.400 -5.705 3.079 1.00 0.00 C ATOM 933 OD1 ASP A 58 16.739 -4.502 3.106 1.00 0.00 O ATOM 934 OD2 ASP A 58 17.141 -6.683 3.319 1.00 0.00 O ATOM 0 H ASP A 58 14.831 -7.638 4.627 1.00 0.00 H new ATOM 0 HA ASP A 58 14.019 -4.890 4.308 1.00 0.00 H new ATOM 0 HB2 ASP A 58 14.889 -7.020 2.316 1.00 0.00 H new ATOM 0 HB3 ASP A 58 14.633 -5.331 1.924 1.00 0.00 H new ATOM 939 N PRO A 59 11.926 -5.085 2.786 1.00 0.00 N ATOM 940 CA PRO A 59 10.590 -5.197 2.227 1.00 0.00 C ATOM 941 C PRO A 59 10.620 -5.908 0.872 1.00 0.00 C ATOM 942 O PRO A 59 11.422 -5.566 0.005 1.00 0.00 O ATOM 943 CB PRO A 59 10.080 -3.767 2.136 1.00 0.00 C ATOM 944 CG PRO A 59 11.312 -2.880 2.209 1.00 0.00 C ATOM 945 CD PRO A 59 12.475 -3.735 2.687 1.00 0.00 C ATOM 0 HA PRO A 59 9.926 -5.804 2.843 1.00 0.00 H new ATOM 0 HB2 PRO A 59 9.536 -3.605 1.205 1.00 0.00 H new ATOM 0 HB3 PRO A 59 9.390 -3.546 2.951 1.00 0.00 H new ATOM 0 HG2 PRO A 59 11.531 -2.450 1.232 1.00 0.00 H new ATOM 0 HG3 PRO A 59 11.143 -2.048 2.893 1.00 0.00 H new ATOM 0 HD2 PRO A 59 13.309 -3.697 1.986 1.00 0.00 H new ATOM 0 HD3 PRO A 59 12.852 -3.389 3.650 1.00 0.00 H new ATOM 953 N LEU A 60 9.734 -6.884 0.733 1.00 0.00 N ATOM 954 CA LEU A 60 9.649 -7.646 -0.501 1.00 0.00 C ATOM 955 C LEU A 60 9.395 -6.690 -1.669 1.00 0.00 C ATOM 956 O LEU A 60 9.805 -6.960 -2.797 1.00 0.00 O ATOM 957 CB LEU A 60 8.603 -8.754 -0.375 1.00 0.00 C ATOM 958 CG LEU A 60 8.854 -9.793 0.720 1.00 0.00 C ATOM 959 CD1 LEU A 60 7.572 -10.089 1.500 1.00 0.00 C ATOM 960 CD2 LEU A 60 9.477 -11.063 0.138 1.00 0.00 C ATOM 0 H LEU A 60 9.069 -7.164 1.454 1.00 0.00 H new ATOM 0 HA LEU A 60 10.593 -8.152 -0.702 1.00 0.00 H new ATOM 0 HB2 LEU A 60 7.633 -8.291 -0.194 1.00 0.00 H new ATOM 0 HB3 LEU A 60 8.535 -9.273 -1.331 1.00 0.00 H new ATOM 0 HG LEU A 60 9.572 -9.377 1.427 1.00 0.00 H new ATOM 0 HD11 LEU A 60 7.779 -10.830 2.272 1.00 0.00 H new ATOM 0 HD12 LEU A 60 7.209 -9.172 1.965 1.00 0.00 H new ATOM 0 HD13 LEU A 60 6.813 -10.475 0.820 1.00 0.00 H new ATOM 0 HD21 LEU A 60 9.645 -11.785 0.937 1.00 0.00 H new ATOM 0 HD22 LEU A 60 8.803 -11.492 -0.603 1.00 0.00 H new ATOM 0 HD23 LEU A 60 10.428 -10.818 -0.335 1.00 0.00 H new ATOM 972 N GLY A 61 8.721 -5.593 -1.359 1.00 0.00 N ATOM 973 CA GLY A 61 8.408 -4.596 -2.368 1.00 0.00 C ATOM 974 C GLY A 61 7.545 -3.476 -1.783 1.00 0.00 C ATOM 975 O GLY A 61 7.386 -3.380 -0.567 1.00 0.00 O ATOM 0 H GLY A 61 8.383 -5.372 -0.422 1.00 0.00 H new ATOM 0 HA2 GLY A 61 9.331 -4.177 -2.769 1.00 0.00 H new ATOM 0 HA3 GLY A 61 7.884 -5.067 -3.200 1.00 0.00 H new ATOM 979 N ALA A 62 7.010 -2.657 -2.677 1.00 0.00 N ATOM 980 CA ALA A 62 6.167 -1.548 -2.265 1.00 0.00 C ATOM 981 C ALA A 62 5.167 -1.231 -3.379 1.00 0.00 C ATOM 982 O ALA A 62 5.432 -1.498 -4.550 1.00 0.00 O ATOM 983 CB ALA A 62 7.043 -0.345 -1.910 1.00 0.00 C ATOM 0 H ALA A 62 7.144 -2.740 -3.685 1.00 0.00 H new ATOM 0 HA ALA A 62 5.596 -1.811 -1.374 1.00 0.00 H new ATOM 0 HB1 ALA A 62 6.410 0.487 -1.601 1.00 0.00 H new ATOM 0 HB2 ALA A 62 7.715 -0.612 -1.095 1.00 0.00 H new ATOM 0 HB3 ALA A 62 7.628 -0.051 -2.781 1.00 0.00 H new ATOM 989 N ILE A 63 4.038 -0.668 -2.975 1.00 0.00 N ATOM 990 CA ILE A 63 2.997 -0.312 -3.924 1.00 0.00 C ATOM 991 C ILE A 63 2.824 1.208 -3.940 1.00 0.00 C ATOM 992 O ILE A 63 2.488 1.809 -2.920 1.00 0.00 O ATOM 993 CB ILE A 63 1.707 -1.074 -3.615 1.00 0.00 C ATOM 994 CG1 ILE A 63 1.990 -2.560 -3.386 1.00 0.00 C ATOM 995 CG2 ILE A 63 0.663 -0.852 -4.711 1.00 0.00 C ATOM 996 CD1 ILE A 63 0.799 -3.248 -2.715 1.00 0.00 C ATOM 0 H ILE A 63 3.821 -0.449 -2.003 1.00 0.00 H new ATOM 0 HA ILE A 63 3.283 -0.611 -4.932 1.00 0.00 H new ATOM 0 HB ILE A 63 1.290 -0.679 -2.689 1.00 0.00 H new ATOM 0 HG12 ILE A 63 2.205 -3.044 -4.339 1.00 0.00 H new ATOM 0 HG13 ILE A 63 2.878 -2.673 -2.764 1.00 0.00 H new ATOM 0 HG21 ILE A 63 -0.244 -1.405 -4.467 1.00 0.00 H new ATOM 0 HG22 ILE A 63 0.432 0.211 -4.784 1.00 0.00 H new ATOM 0 HG23 ILE A 63 1.056 -1.204 -5.665 1.00 0.00 H new ATOM 0 HD11 ILE A 63 1.026 -4.303 -2.564 1.00 0.00 H new ATOM 0 HD12 ILE A 63 0.602 -2.777 -1.752 1.00 0.00 H new ATOM 0 HD13 ILE A 63 -0.081 -3.154 -3.351 1.00 0.00 H new ATOM 1008 N HIS A 64 3.062 1.787 -5.108 1.00 0.00 N ATOM 1009 CA HIS A 64 2.937 3.225 -5.269 1.00 0.00 C ATOM 1010 C HIS A 64 1.472 3.634 -5.112 1.00 0.00 C ATOM 1011 O HIS A 64 0.592 3.064 -5.756 1.00 0.00 O ATOM 1012 CB HIS A 64 3.539 3.676 -6.602 1.00 0.00 C ATOM 1013 CG HIS A 64 4.092 5.081 -6.582 1.00 0.00 C ATOM 1014 ND1 HIS A 64 4.535 5.729 -7.722 1.00 0.00 N ATOM 1015 CD2 HIS A 64 4.268 5.955 -5.550 1.00 0.00 C ATOM 1016 CE1 HIS A 64 4.957 6.937 -7.379 1.00 0.00 C ATOM 1017 NE2 HIS A 64 4.791 7.075 -6.032 1.00 0.00 N ATOM 0 H HIS A 64 3.341 1.286 -5.952 1.00 0.00 H new ATOM 0 HA HIS A 64 3.505 3.733 -4.489 1.00 0.00 H new ATOM 0 HB2 HIS A 64 4.336 2.987 -6.881 1.00 0.00 H new ATOM 0 HB3 HIS A 64 2.774 3.608 -7.376 1.00 0.00 H new ATOM 0 HD2 HIS A 64 4.023 5.767 -4.515 1.00 0.00 H new ATOM 0 HE1 HIS A 64 5.361 7.682 -8.048 1.00 0.00 H new ATOM 0 HE2 HIS A 64 5.030 7.903 -5.486 1.00 0.00 H new ATOM 1025 N LEU A 65 1.254 4.618 -4.252 1.00 0.00 N ATOM 1026 CA LEU A 65 -0.090 5.110 -4.001 1.00 0.00 C ATOM 1027 C LEU A 65 -0.181 6.575 -4.432 1.00 0.00 C ATOM 1028 O LEU A 65 -1.121 7.277 -4.063 1.00 0.00 O ATOM 1029 CB LEU A 65 -0.484 4.872 -2.542 1.00 0.00 C ATOM 1030 CG LEU A 65 -0.058 3.531 -1.942 1.00 0.00 C ATOM 1031 CD1 LEU A 65 -0.123 3.569 -0.414 1.00 0.00 C ATOM 1032 CD2 LEU A 65 -0.887 2.383 -2.522 1.00 0.00 C ATOM 0 H LEU A 65 1.986 5.088 -3.720 1.00 0.00 H new ATOM 0 HA LEU A 65 -0.816 4.557 -4.597 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -0.056 5.671 -1.936 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -1.568 4.956 -2.461 1.00 0.00 H new ATOM 0 HG LEU A 65 0.981 3.349 -2.216 1.00 0.00 H new ATOM 0 HD11 LEU A 65 0.185 2.603 -0.013 1.00 0.00 H new ATOM 0 HD12 LEU A 65 0.544 4.346 -0.041 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -1.144 3.784 -0.098 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -0.564 1.441 -2.079 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -1.941 2.547 -2.299 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -0.747 2.343 -3.602 1.00 0.00 H new ATOM 1044 N ARG A 66 0.808 6.993 -5.208 1.00 0.00 N ATOM 1045 CA ARG A 66 0.852 8.362 -5.693 1.00 0.00 C ATOM 1046 C ARG A 66 -0.464 8.721 -6.386 1.00 0.00 C ATOM 1047 O ARG A 66 -0.825 9.894 -6.470 1.00 0.00 O ATOM 1048 CB ARG A 66 2.008 8.561 -6.675 1.00 0.00 C ATOM 1049 CG ARG A 66 1.961 7.522 -7.797 1.00 0.00 C ATOM 1050 CD ARG A 66 2.685 8.030 -9.046 1.00 0.00 C ATOM 1051 NE ARG A 66 3.326 6.899 -9.754 1.00 0.00 N ATOM 1052 CZ ARG A 66 4.349 7.032 -10.608 1.00 0.00 C ATOM 1053 NH1 ARG A 66 4.854 8.246 -10.867 1.00 0.00 N ATOM 1054 NH2 ARG A 66 4.868 5.950 -11.205 1.00 0.00 N ATOM 0 H ARG A 66 1.585 6.407 -5.513 1.00 0.00 H new ATOM 0 HA ARG A 66 1.004 9.014 -4.833 1.00 0.00 H new ATOM 0 HB2 ARG A 66 1.959 9.563 -7.101 1.00 0.00 H new ATOM 0 HB3 ARG A 66 2.957 8.486 -6.145 1.00 0.00 H new ATOM 0 HG2 ARG A 66 2.421 6.594 -7.458 1.00 0.00 H new ATOM 0 HG3 ARG A 66 0.924 7.292 -8.042 1.00 0.00 H new ATOM 0 HD2 ARG A 66 1.978 8.531 -9.708 1.00 0.00 H new ATOM 0 HD3 ARG A 66 3.437 8.768 -8.766 1.00 0.00 H new ATOM 0 HE ARG A 66 2.966 5.960 -9.581 1.00 0.00 H new ATOM 0 HH11 ARG A 66 4.459 9.070 -10.413 1.00 0.00 H new ATOM 0 HH12 ARG A 66 5.633 8.346 -11.518 1.00 0.00 H new ATOM 0 HH21 ARG A 66 4.484 5.026 -11.009 1.00 0.00 H new ATOM 0 HH22 ARG A 66 5.647 6.051 -11.856 1.00 0.00 H new ATOM 1068 N GLY A 67 -1.146 7.690 -6.864 1.00 0.00 N ATOM 1069 CA GLY A 67 -2.414 7.883 -7.546 1.00 0.00 C ATOM 1070 C GLY A 67 -3.155 6.554 -7.711 1.00 0.00 C ATOM 1071 O GLY A 67 -3.904 6.373 -8.670 1.00 0.00 O ATOM 0 H GLY A 67 -0.844 6.718 -6.792 1.00 0.00 H new ATOM 0 HA2 GLY A 67 -3.032 8.581 -6.981 1.00 0.00 H new ATOM 0 HA3 GLY A 67 -2.240 8.331 -8.524 1.00 0.00 H new ATOM 1075 N CYS A 68 -2.919 5.660 -6.763 1.00 0.00 N ATOM 1076 CA CYS A 68 -3.555 4.354 -6.791 1.00 0.00 C ATOM 1077 C CYS A 68 -5.054 4.544 -6.551 1.00 0.00 C ATOM 1078 O CYS A 68 -5.499 5.642 -6.220 1.00 0.00 O ATOM 1079 CB CYS A 68 -2.930 3.398 -5.773 1.00 0.00 C ATOM 1080 SG CYS A 68 -3.384 3.908 -4.075 1.00 0.00 S ATOM 0 H CYS A 68 -2.296 5.814 -5.970 1.00 0.00 H new ATOM 0 HA CYS A 68 -3.400 3.892 -7.766 1.00 0.00 H new ATOM 0 HB2 CYS A 68 -3.272 2.380 -5.960 1.00 0.00 H new ATOM 0 HB3 CYS A 68 -1.846 3.395 -5.883 1.00 0.00 H new ATOM 0 HG CYS A 68 -3.845 2.882 -3.422 1.00 0.00 H new ATOM 1086 N VAL A 69 -5.791 3.457 -6.726 1.00 0.00 N ATOM 1087 CA VAL A 69 -7.231 3.490 -6.532 1.00 0.00 C ATOM 1088 C VAL A 69 -7.637 2.375 -5.566 1.00 0.00 C ATOM 1089 O VAL A 69 -6.954 1.357 -5.466 1.00 0.00 O ATOM 1090 CB VAL A 69 -7.943 3.399 -7.883 1.00 0.00 C ATOM 1091 CG1 VAL A 69 -9.453 3.583 -7.719 1.00 0.00 C ATOM 1092 CG2 VAL A 69 -7.371 4.415 -8.873 1.00 0.00 C ATOM 0 H VAL A 69 -5.418 2.548 -7.000 1.00 0.00 H new ATOM 0 HA VAL A 69 -7.534 4.436 -6.083 1.00 0.00 H new ATOM 0 HB VAL A 69 -7.769 2.402 -8.288 1.00 0.00 H new ATOM 0 HG11 VAL A 69 -9.936 3.514 -8.694 1.00 0.00 H new ATOM 0 HG12 VAL A 69 -9.845 2.805 -7.064 1.00 0.00 H new ATOM 0 HG13 VAL A 69 -9.655 4.561 -7.282 1.00 0.00 H new ATOM 0 HG21 VAL A 69 -7.894 4.330 -9.825 1.00 0.00 H new ATOM 0 HG22 VAL A 69 -7.501 5.422 -8.477 1.00 0.00 H new ATOM 0 HG23 VAL A 69 -6.309 4.218 -9.024 1.00 0.00 H new ATOM 1102 N VAL A 70 -8.746 2.605 -4.880 1.00 0.00 N ATOM 1103 CA VAL A 70 -9.251 1.632 -3.925 1.00 0.00 C ATOM 1104 C VAL A 70 -10.643 1.170 -4.363 1.00 0.00 C ATOM 1105 O VAL A 70 -11.459 1.977 -4.803 1.00 0.00 O ATOM 1106 CB VAL A 70 -9.234 2.225 -2.515 1.00 0.00 C ATOM 1107 CG1 VAL A 70 -10.119 1.412 -1.568 1.00 0.00 C ATOM 1108 CG2 VAL A 70 -7.805 2.326 -1.980 1.00 0.00 C ATOM 0 H VAL A 70 -9.310 3.451 -4.966 1.00 0.00 H new ATOM 0 HA VAL A 70 -8.609 0.752 -3.900 1.00 0.00 H new ATOM 0 HB VAL A 70 -9.642 3.234 -2.571 1.00 0.00 H new ATOM 0 HG11 VAL A 70 -10.089 1.855 -0.572 1.00 0.00 H new ATOM 0 HG12 VAL A 70 -11.145 1.415 -1.936 1.00 0.00 H new ATOM 0 HG13 VAL A 70 -9.754 0.386 -1.520 1.00 0.00 H new ATOM 0 HG21 VAL A 70 -7.821 2.751 -0.976 1.00 0.00 H new ATOM 0 HG22 VAL A 70 -7.358 1.332 -1.946 1.00 0.00 H new ATOM 0 HG23 VAL A 70 -7.216 2.967 -2.636 1.00 0.00 H new ATOM 1118 N THR A 71 -10.870 -0.128 -4.226 1.00 0.00 N ATOM 1119 CA THR A 71 -12.148 -0.708 -4.601 1.00 0.00 C ATOM 1120 C THR A 71 -12.363 -2.039 -3.879 1.00 0.00 C ATOM 1121 O THR A 71 -11.461 -2.538 -3.208 1.00 0.00 O ATOM 1122 CB THR A 71 -12.182 -0.832 -6.126 1.00 0.00 C ATOM 1123 OG1 THR A 71 -13.560 -0.680 -6.456 1.00 0.00 O ATOM 1124 CG2 THR A 71 -11.836 -2.243 -6.607 1.00 0.00 C ATOM 0 H THR A 71 -10.190 -0.795 -3.860 1.00 0.00 H new ATOM 0 HA THR A 71 -12.977 -0.070 -4.293 1.00 0.00 H new ATOM 0 HB THR A 71 -11.484 -0.119 -6.564 1.00 0.00 H new ATOM 0 HG1 THR A 71 -13.673 -0.745 -7.427 1.00 0.00 H new ATOM 0 HG21 THR A 71 -11.875 -2.276 -7.696 1.00 0.00 H new ATOM 0 HG22 THR A 71 -10.833 -2.506 -6.271 1.00 0.00 H new ATOM 0 HG23 THR A 71 -12.554 -2.953 -6.197 1.00 0.00 H new ATOM 1132 N SER A 72 -13.564 -2.577 -4.040 1.00 0.00 N ATOM 1133 CA SER A 72 -13.908 -3.840 -3.412 1.00 0.00 C ATOM 1134 C SER A 72 -14.019 -4.939 -4.471 1.00 0.00 C ATOM 1135 O SER A 72 -14.132 -4.649 -5.661 1.00 0.00 O ATOM 1136 CB SER A 72 -15.217 -3.726 -2.627 1.00 0.00 C ATOM 1137 OG SER A 72 -15.661 -2.376 -2.524 1.00 0.00 O ATOM 0 H SER A 72 -14.310 -2.160 -4.597 1.00 0.00 H new ATOM 0 HA SER A 72 -13.115 -4.100 -2.710 1.00 0.00 H new ATOM 0 HB2 SER A 72 -15.986 -4.324 -3.115 1.00 0.00 H new ATOM 0 HB3 SER A 72 -15.078 -4.139 -1.628 1.00 0.00 H new ATOM 0 HG SER A 72 -16.500 -2.345 -2.018 1.00 0.00 H new ATOM 1143 N VAL A 73 -13.984 -6.177 -4.000 1.00 0.00 N ATOM 1144 CA VAL A 73 -14.079 -7.320 -4.892 1.00 0.00 C ATOM 1145 C VAL A 73 -15.506 -7.868 -4.861 1.00 0.00 C ATOM 1146 O VAL A 73 -16.328 -7.426 -4.059 1.00 0.00 O ATOM 1147 CB VAL A 73 -13.028 -8.366 -4.515 1.00 0.00 C ATOM 1148 CG1 VAL A 73 -11.633 -7.742 -4.447 1.00 0.00 C ATOM 1149 CG2 VAL A 73 -13.387 -9.053 -3.196 1.00 0.00 C ATOM 0 H VAL A 73 -13.891 -6.413 -3.012 1.00 0.00 H new ATOM 0 HA VAL A 73 -13.868 -7.022 -5.919 1.00 0.00 H new ATOM 0 HB VAL A 73 -13.017 -9.126 -5.296 1.00 0.00 H new ATOM 0 HG11 VAL A 73 -10.905 -8.507 -4.177 1.00 0.00 H new ATOM 0 HG12 VAL A 73 -11.375 -7.322 -5.419 1.00 0.00 H new ATOM 0 HG13 VAL A 73 -11.624 -6.952 -3.696 1.00 0.00 H new ATOM 0 HG21 VAL A 73 -12.624 -9.792 -2.951 1.00 0.00 H new ATOM 0 HG22 VAL A 73 -13.440 -8.309 -2.401 1.00 0.00 H new ATOM 0 HG23 VAL A 73 -14.353 -9.548 -3.295 1.00 0.00 H new ATOM 1318 N GLU A 85 -13.377 -14.420 2.109 1.00 0.00 N ATOM 1319 CA GLU A 85 -14.680 -14.148 2.694 1.00 0.00 C ATOM 1320 C GLU A 85 -15.121 -12.720 2.366 1.00 0.00 C ATOM 1321 O GLU A 85 -16.305 -12.398 2.450 1.00 0.00 O ATOM 1322 CB GLU A 85 -14.663 -14.384 4.205 1.00 0.00 C ATOM 1323 CG GLU A 85 -14.222 -15.812 4.533 1.00 0.00 C ATOM 1324 CD GLU A 85 -14.171 -16.037 6.045 1.00 0.00 C ATOM 1325 OE1 GLU A 85 -15.156 -15.648 6.710 1.00 0.00 O ATOM 1326 OE2 GLU A 85 -13.149 -16.592 6.502 1.00 0.00 O ATOM 0 HA GLU A 85 -15.403 -14.839 2.261 1.00 0.00 H new ATOM 0 HB2 GLU A 85 -13.987 -13.673 4.680 1.00 0.00 H new ATOM 0 HB3 GLU A 85 -15.656 -14.203 4.616 1.00 0.00 H new ATOM 0 HG2 GLU A 85 -14.913 -16.523 4.079 1.00 0.00 H new ATOM 0 HG3 GLU A 85 -13.240 -16.001 4.100 1.00 0.00 H new ATOM 1333 N ASN A 86 -14.145 -11.903 2.000 1.00 0.00 N ATOM 1334 CA ASN A 86 -14.418 -10.517 1.659 1.00 0.00 C ATOM 1335 C ASN A 86 -13.330 -10.005 0.712 1.00 0.00 C ATOM 1336 O ASN A 86 -13.550 -9.903 -0.494 1.00 0.00 O ATOM 1337 CB ASN A 86 -14.412 -9.632 2.907 1.00 0.00 C ATOM 1338 CG ASN A 86 -15.728 -9.762 3.677 1.00 0.00 C ATOM 1339 OD1 ASN A 86 -16.812 -9.660 3.127 1.00 0.00 O ATOM 1340 ND2 ASN A 86 -15.573 -9.991 4.978 1.00 0.00 N ATOM 0 H ASN A 86 -13.164 -12.174 1.932 1.00 0.00 H new ATOM 0 HA ASN A 86 -15.401 -10.473 1.189 1.00 0.00 H new ATOM 0 HB2 ASN A 86 -13.580 -9.913 3.552 1.00 0.00 H new ATOM 0 HB3 ASN A 86 -14.256 -8.592 2.619 1.00 0.00 H new ATOM 0 HD21 ASN A 86 -16.391 -10.092 5.579 1.00 0.00 H new ATOM 0 HD22 ASN A 86 -14.636 -10.065 5.375 1.00 0.00 H new ATOM 1347 N LEU A 87 -12.181 -9.697 1.294 1.00 0.00 N ATOM 1348 CA LEU A 87 -11.059 -9.198 0.517 1.00 0.00 C ATOM 1349 C LEU A 87 -11.446 -7.870 -0.136 1.00 0.00 C ATOM 1350 O LEU A 87 -12.551 -7.371 0.072 1.00 0.00 O ATOM 1351 CB LEU A 87 -10.584 -10.258 -0.480 1.00 0.00 C ATOM 1352 CG LEU A 87 -11.061 -11.688 -0.216 1.00 0.00 C ATOM 1353 CD1 LEU A 87 -11.993 -12.169 -1.329 1.00 0.00 C ATOM 1354 CD2 LEU A 87 -9.875 -12.633 -0.014 1.00 0.00 C ATOM 0 H LEU A 87 -12.002 -9.783 2.295 1.00 0.00 H new ATOM 0 HA LEU A 87 -10.206 -8.998 1.166 1.00 0.00 H new ATOM 0 HB2 LEU A 87 -10.913 -9.964 -1.477 1.00 0.00 H new ATOM 0 HB3 LEU A 87 -9.494 -10.256 -0.491 1.00 0.00 H new ATOM 0 HG LEU A 87 -11.636 -11.691 0.710 1.00 0.00 H new ATOM 0 HD11 LEU A 87 -12.317 -13.188 -1.117 1.00 0.00 H new ATOM 0 HD12 LEU A 87 -12.863 -11.515 -1.383 1.00 0.00 H new ATOM 0 HD13 LEU A 87 -11.464 -12.148 -2.282 1.00 0.00 H new ATOM 0 HD21 LEU A 87 -10.242 -13.643 0.172 1.00 0.00 H new ATOM 0 HD22 LEU A 87 -9.252 -12.632 -0.909 1.00 0.00 H new ATOM 0 HD23 LEU A 87 -9.285 -12.299 0.839 1.00 0.00 H new ATOM 1366 N PHE A 88 -10.516 -7.336 -0.914 1.00 0.00 N ATOM 1367 CA PHE A 88 -10.746 -6.075 -1.599 1.00 0.00 C ATOM 1368 C PHE A 88 -9.704 -5.849 -2.696 1.00 0.00 C ATOM 1369 O PHE A 88 -8.590 -6.364 -2.615 1.00 0.00 O ATOM 1370 CB PHE A 88 -10.616 -4.967 -0.552 1.00 0.00 C ATOM 1371 CG PHE A 88 -9.372 -5.088 0.331 1.00 0.00 C ATOM 1372 CD1 PHE A 88 -8.178 -4.604 -0.106 1.00 0.00 C ATOM 1373 CD2 PHE A 88 -9.460 -5.680 1.552 1.00 0.00 C ATOM 1374 CE1 PHE A 88 -7.024 -4.717 0.713 1.00 0.00 C ATOM 1375 CE2 PHE A 88 -8.305 -5.792 2.371 1.00 0.00 C ATOM 1376 CZ PHE A 88 -7.112 -5.308 1.934 1.00 0.00 C ATOM 0 H PHE A 88 -9.601 -7.754 -1.085 1.00 0.00 H new ATOM 0 HA PHE A 88 -11.731 -6.080 -2.066 1.00 0.00 H new ATOM 0 HB2 PHE A 88 -10.597 -4.002 -1.059 1.00 0.00 H new ATOM 0 HB3 PHE A 88 -11.502 -4.975 0.083 1.00 0.00 H new ATOM 0 HD1 PHE A 88 -8.108 -4.134 -1.076 1.00 0.00 H new ATOM 0 HD2 PHE A 88 -10.408 -6.065 1.899 1.00 0.00 H new ATOM 0 HE1 PHE A 88 -6.076 -4.333 0.366 1.00 0.00 H new ATOM 0 HE2 PHE A 88 -8.374 -6.262 3.341 1.00 0.00 H new ATOM 0 HZ PHE A 88 -6.234 -5.393 2.557 1.00 0.00 H new ATOM 1386 N GLU A 89 -10.104 -5.079 -3.697 1.00 0.00 N ATOM 1387 CA GLU A 89 -9.219 -4.778 -4.810 1.00 0.00 C ATOM 1388 C GLU A 89 -8.594 -3.393 -4.631 1.00 0.00 C ATOM 1389 O GLU A 89 -9.236 -2.480 -4.115 1.00 0.00 O ATOM 1390 CB GLU A 89 -9.962 -4.877 -6.144 1.00 0.00 C ATOM 1391 CG GLU A 89 -9.127 -4.285 -7.281 1.00 0.00 C ATOM 1392 CD GLU A 89 -9.714 -4.658 -8.644 1.00 0.00 C ATOM 1393 OE1 GLU A 89 -10.721 -4.021 -9.022 1.00 0.00 O ATOM 1394 OE2 GLU A 89 -9.143 -5.573 -9.277 1.00 0.00 O ATOM 0 H GLU A 89 -11.029 -4.654 -3.761 1.00 0.00 H new ATOM 0 HA GLU A 89 -8.418 -5.517 -4.823 1.00 0.00 H new ATOM 0 HB2 GLU A 89 -10.190 -5.921 -6.361 1.00 0.00 H new ATOM 0 HB3 GLU A 89 -10.914 -4.350 -6.074 1.00 0.00 H new ATOM 0 HG2 GLU A 89 -9.089 -3.200 -7.182 1.00 0.00 H new ATOM 0 HG3 GLU A 89 -8.102 -4.648 -7.211 1.00 0.00 H new ATOM 1401 N ILE A 90 -7.349 -3.280 -5.070 1.00 0.00 N ATOM 1402 CA ILE A 90 -6.630 -2.022 -4.965 1.00 0.00 C ATOM 1403 C ILE A 90 -5.787 -1.815 -6.225 1.00 0.00 C ATOM 1404 O ILE A 90 -4.738 -2.437 -6.383 1.00 0.00 O ATOM 1405 CB ILE A 90 -5.820 -1.974 -3.668 1.00 0.00 C ATOM 1406 CG1 ILE A 90 -6.723 -2.171 -2.449 1.00 0.00 C ATOM 1407 CG2 ILE A 90 -5.008 -0.680 -3.576 1.00 0.00 C ATOM 1408 CD1 ILE A 90 -5.895 -2.333 -1.173 1.00 0.00 C ATOM 0 H ILE A 90 -6.820 -4.039 -5.499 1.00 0.00 H new ATOM 0 HA ILE A 90 -7.329 -1.187 -4.908 1.00 0.00 H new ATOM 0 HB ILE A 90 -5.109 -2.801 -3.679 1.00 0.00 H new ATOM 0 HG12 ILE A 90 -7.392 -1.317 -2.346 1.00 0.00 H new ATOM 0 HG13 ILE A 90 -7.349 -3.051 -2.594 1.00 0.00 H new ATOM 0 HG21 ILE A 90 -4.442 -0.671 -2.645 1.00 0.00 H new ATOM 0 HG22 ILE A 90 -4.320 -0.621 -4.420 1.00 0.00 H new ATOM 0 HG23 ILE A 90 -5.683 0.176 -3.598 1.00 0.00 H new ATOM 0 HD11 ILE A 90 -6.562 -2.471 -0.322 1.00 0.00 H new ATOM 0 HD12 ILE A 90 -5.244 -3.202 -1.269 1.00 0.00 H new ATOM 0 HD13 ILE A 90 -5.288 -1.441 -1.017 1.00 0.00 H new ATOM 1420 N ILE A 91 -6.276 -0.937 -7.089 1.00 0.00 N ATOM 1421 CA ILE A 91 -5.581 -0.641 -8.329 1.00 0.00 C ATOM 1422 C ILE A 91 -4.472 0.378 -8.056 1.00 0.00 C ATOM 1423 O ILE A 91 -4.657 1.306 -7.271 1.00 0.00 O ATOM 1424 CB ILE A 91 -6.573 -0.196 -9.406 1.00 0.00 C ATOM 1425 CG1 ILE A 91 -7.774 -1.141 -9.469 1.00 0.00 C ATOM 1426 CG2 ILE A 91 -5.882 -0.056 -10.764 1.00 0.00 C ATOM 1427 CD1 ILE A 91 -9.083 -0.357 -9.582 1.00 0.00 C ATOM 0 H ILE A 91 -7.146 -0.421 -6.954 1.00 0.00 H new ATOM 0 HA ILE A 91 -5.101 -1.538 -8.721 1.00 0.00 H new ATOM 0 HB ILE A 91 -6.952 0.789 -9.135 1.00 0.00 H new ATOM 0 HG12 ILE A 91 -7.671 -1.809 -10.324 1.00 0.00 H new ATOM 0 HG13 ILE A 91 -7.796 -1.766 -8.577 1.00 0.00 H new ATOM 0 HG21 ILE A 91 -6.609 0.261 -11.511 1.00 0.00 H new ATOM 0 HG22 ILE A 91 -5.087 0.687 -10.693 1.00 0.00 H new ATOM 0 HG23 ILE A 91 -5.457 -1.016 -11.056 1.00 0.00 H new ATOM 0 HD11 ILE A 91 -9.921 -1.053 -9.625 1.00 0.00 H new ATOM 0 HD12 ILE A 91 -9.194 0.292 -8.714 1.00 0.00 H new ATOM 0 HD13 ILE A 91 -9.067 0.249 -10.488 1.00 0.00 H new ATOM 1439 N THR A 92 -3.344 0.168 -8.720 1.00 0.00 N ATOM 1440 CA THR A 92 -2.206 1.056 -8.558 1.00 0.00 C ATOM 1441 C THR A 92 -2.114 2.026 -9.739 1.00 0.00 C ATOM 1442 O THR A 92 -3.006 2.067 -10.584 1.00 0.00 O ATOM 1443 CB THR A 92 -0.955 0.194 -8.382 1.00 0.00 C ATOM 1444 OG1 THR A 92 -0.975 -0.682 -9.506 1.00 0.00 O ATOM 1445 CG2 THR A 92 -1.055 -0.744 -7.178 1.00 0.00 C ATOM 0 H THR A 92 -3.195 -0.603 -9.370 1.00 0.00 H new ATOM 0 HA THR A 92 -2.315 1.681 -7.672 1.00 0.00 H new ATOM 0 HB THR A 92 -0.084 0.839 -8.269 1.00 0.00 H new ATOM 0 HG1 THR A 92 -0.061 -0.815 -9.833 1.00 0.00 H new ATOM 0 HG21 THR A 92 -0.141 -1.333 -7.099 1.00 0.00 H new ATOM 0 HG22 THR A 92 -1.188 -0.157 -6.269 1.00 0.00 H new ATOM 0 HG23 THR A 92 -1.907 -1.412 -7.307 1.00 0.00 H new ATOM 1453 N ALA A 93 -1.027 2.783 -9.758 1.00 0.00 N ATOM 1454 CA ALA A 93 -0.807 3.749 -10.821 1.00 0.00 C ATOM 1455 C ALA A 93 -0.460 3.008 -12.114 1.00 0.00 C ATOM 1456 O ALA A 93 -0.518 3.586 -13.199 1.00 0.00 O ATOM 1457 CB ALA A 93 0.289 4.730 -10.400 1.00 0.00 C ATOM 0 H ALA A 93 -0.289 2.747 -9.055 1.00 0.00 H new ATOM 0 HA ALA A 93 -1.711 4.329 -11.006 1.00 0.00 H new ATOM 0 HB1 ALA A 93 0.454 5.455 -11.197 1.00 0.00 H new ATOM 0 HB2 ALA A 93 -0.018 5.251 -9.493 1.00 0.00 H new ATOM 0 HB3 ALA A 93 1.213 4.184 -10.209 1.00 0.00 H new ATOM 1463 N ASP A 94 -0.108 1.741 -11.957 1.00 0.00 N ATOM 1464 CA ASP A 94 0.248 0.916 -13.098 1.00 0.00 C ATOM 1465 C ASP A 94 -0.971 0.098 -13.531 1.00 0.00 C ATOM 1466 O ASP A 94 -0.897 -0.679 -14.481 1.00 0.00 O ATOM 1467 CB ASP A 94 1.370 -0.061 -12.744 1.00 0.00 C ATOM 1468 CG ASP A 94 2.761 0.345 -13.236 1.00 0.00 C ATOM 1469 OD1 ASP A 94 3.450 1.052 -12.470 1.00 0.00 O ATOM 1470 OD2 ASP A 94 3.103 -0.060 -14.368 1.00 0.00 O ATOM 0 H ASP A 94 -0.062 1.265 -11.056 1.00 0.00 H new ATOM 0 HA ASP A 94 0.584 1.576 -13.898 1.00 0.00 H new ATOM 0 HB2 ASP A 94 1.403 -0.175 -11.661 1.00 0.00 H new ATOM 0 HB3 ASP A 94 1.125 -1.038 -13.160 1.00 0.00 H new ATOM 1475 N GLU A 95 -2.065 0.301 -12.812 1.00 0.00 N ATOM 1476 CA GLU A 95 -3.299 -0.407 -13.109 1.00 0.00 C ATOM 1477 C GLU A 95 -3.269 -1.807 -12.491 1.00 0.00 C ATOM 1478 O GLU A 95 -4.232 -2.563 -12.611 1.00 0.00 O ATOM 1479 CB GLU A 95 -3.540 -0.479 -14.618 1.00 0.00 C ATOM 1480 CG GLU A 95 -3.152 0.836 -15.298 1.00 0.00 C ATOM 1481 CD GLU A 95 -3.996 1.073 -16.552 1.00 0.00 C ATOM 1482 OE1 GLU A 95 -4.337 0.064 -17.206 1.00 0.00 O ATOM 1483 OE2 GLU A 95 -4.279 2.259 -16.829 1.00 0.00 O ATOM 0 H GLU A 95 -2.123 0.946 -12.024 1.00 0.00 H new ATOM 0 HA GLU A 95 -4.128 0.146 -12.668 1.00 0.00 H new ATOM 0 HB2 GLU A 95 -2.960 -1.298 -15.044 1.00 0.00 H new ATOM 0 HB3 GLU A 95 -4.590 -0.697 -14.812 1.00 0.00 H new ATOM 0 HG2 GLU A 95 -3.288 1.664 -14.602 1.00 0.00 H new ATOM 0 HG3 GLU A 95 -2.095 0.814 -15.565 1.00 0.00 H new ATOM 1490 N VAL A 96 -2.153 -2.110 -11.844 1.00 0.00 N ATOM 1491 CA VAL A 96 -1.985 -3.405 -11.208 1.00 0.00 C ATOM 1492 C VAL A 96 -3.095 -3.609 -10.175 1.00 0.00 C ATOM 1493 O VAL A 96 -3.404 -2.702 -9.404 1.00 0.00 O ATOM 1494 CB VAL A 96 -0.582 -3.515 -10.607 1.00 0.00 C ATOM 1495 CG1 VAL A 96 -0.312 -4.933 -10.100 1.00 0.00 C ATOM 1496 CG2 VAL A 96 0.483 -3.081 -11.616 1.00 0.00 C ATOM 0 H VAL A 96 -1.356 -1.481 -11.747 1.00 0.00 H new ATOM 0 HA VAL A 96 -2.073 -4.205 -11.943 1.00 0.00 H new ATOM 0 HB VAL A 96 -0.530 -2.839 -9.754 1.00 0.00 H new ATOM 0 HG11 VAL A 96 0.692 -4.984 -9.678 1.00 0.00 H new ATOM 0 HG12 VAL A 96 -1.042 -5.190 -9.332 1.00 0.00 H new ATOM 0 HG13 VAL A 96 -0.393 -5.637 -10.928 1.00 0.00 H new ATOM 0 HG21 VAL A 96 1.471 -3.169 -11.163 1.00 0.00 H new ATOM 0 HG22 VAL A 96 0.430 -3.719 -12.498 1.00 0.00 H new ATOM 0 HG23 VAL A 96 0.308 -2.045 -11.907 1.00 0.00 H new ATOM 1506 N HIS A 97 -3.665 -4.805 -10.194 1.00 0.00 N ATOM 1507 CA HIS A 97 -4.734 -5.140 -9.269 1.00 0.00 C ATOM 1508 C HIS A 97 -4.214 -6.122 -8.218 1.00 0.00 C ATOM 1509 O HIS A 97 -3.423 -7.010 -8.530 1.00 0.00 O ATOM 1510 CB HIS A 97 -5.957 -5.669 -10.021 1.00 0.00 C ATOM 1511 CG HIS A 97 -6.350 -4.836 -11.218 1.00 0.00 C ATOM 1512 ND1 HIS A 97 -7.489 -4.051 -11.244 1.00 0.00 N ATOM 1513 CD2 HIS A 97 -5.743 -4.674 -12.429 1.00 0.00 C ATOM 1514 CE1 HIS A 97 -7.555 -3.448 -12.422 1.00 0.00 C ATOM 1515 NE2 HIS A 97 -6.473 -3.836 -13.155 1.00 0.00 N ATOM 0 H HIS A 97 -3.406 -5.554 -10.836 1.00 0.00 H new ATOM 0 HA HIS A 97 -5.062 -4.242 -8.746 1.00 0.00 H new ATOM 0 HB2 HIS A 97 -5.755 -6.688 -10.351 1.00 0.00 H new ATOM 0 HB3 HIS A 97 -6.801 -5.718 -9.333 1.00 0.00 H new ATOM 0 HD2 HIS A 97 -4.825 -5.147 -12.744 1.00 0.00 H new ATOM 0 HE1 HIS A 97 -8.330 -2.768 -12.745 1.00 0.00 H new ATOM 0 HE2 HIS A 97 -6.259 -3.532 -14.105 1.00 0.00 H new ATOM 1523 N TYR A 98 -4.680 -5.928 -6.992 1.00 0.00 N ATOM 1524 CA TYR A 98 -4.273 -6.786 -5.893 1.00 0.00 C ATOM 1525 C TYR A 98 -5.463 -7.128 -4.994 1.00 0.00 C ATOM 1526 O TYR A 98 -6.220 -6.243 -4.596 1.00 0.00 O ATOM 1527 CB TYR A 98 -3.254 -5.979 -5.085 1.00 0.00 C ATOM 1528 CG TYR A 98 -1.903 -5.807 -5.782 1.00 0.00 C ATOM 1529 CD1 TYR A 98 -1.090 -6.902 -5.990 1.00 0.00 C ATOM 1530 CD2 TYR A 98 -1.498 -4.556 -6.202 1.00 0.00 C ATOM 1531 CE1 TYR A 98 0.182 -6.740 -6.646 1.00 0.00 C ATOM 1532 CE2 TYR A 98 -0.226 -4.394 -6.858 1.00 0.00 C ATOM 1533 CZ TYR A 98 0.551 -5.494 -7.048 1.00 0.00 C ATOM 1534 OH TYR A 98 1.752 -5.340 -7.667 1.00 0.00 O ATOM 0 H TYR A 98 -5.335 -5.189 -6.736 1.00 0.00 H new ATOM 0 HA TYR A 98 -3.862 -7.723 -6.269 1.00 0.00 H new ATOM 0 HB2 TYR A 98 -3.671 -4.994 -4.874 1.00 0.00 H new ATOM 0 HB3 TYR A 98 -3.096 -6.470 -4.125 1.00 0.00 H new ATOM 0 HD1 TYR A 98 -1.407 -7.881 -5.661 1.00 0.00 H new ATOM 0 HD2 TYR A 98 -2.135 -3.699 -6.039 1.00 0.00 H new ATOM 0 HE1 TYR A 98 0.828 -7.589 -6.815 1.00 0.00 H new ATOM 0 HE2 TYR A 98 0.103 -3.421 -7.191 1.00 0.00 H new ATOM 0 HH TYR A 98 1.841 -4.417 -7.984 1.00 0.00 H new ATOM 1544 N PHE A 99 -5.591 -8.413 -4.700 1.00 0.00 N ATOM 1545 CA PHE A 99 -6.676 -8.883 -3.856 1.00 0.00 C ATOM 1546 C PHE A 99 -6.148 -9.368 -2.504 1.00 0.00 C ATOM 1547 O PHE A 99 -5.547 -10.437 -2.415 1.00 0.00 O ATOM 1548 CB PHE A 99 -7.333 -10.058 -4.584 1.00 0.00 C ATOM 1549 CG PHE A 99 -7.986 -9.678 -5.915 1.00 0.00 C ATOM 1550 CD1 PHE A 99 -7.223 -9.544 -7.032 1.00 0.00 C ATOM 1551 CD2 PHE A 99 -9.329 -9.475 -5.979 1.00 0.00 C ATOM 1552 CE1 PHE A 99 -7.829 -9.192 -8.267 1.00 0.00 C ATOM 1553 CE2 PHE A 99 -9.935 -9.122 -7.214 1.00 0.00 C ATOM 1554 CZ PHE A 99 -9.172 -8.988 -8.332 1.00 0.00 C ATOM 0 H PHE A 99 -4.961 -9.144 -5.031 1.00 0.00 H new ATOM 0 HA PHE A 99 -7.381 -8.073 -3.672 1.00 0.00 H new ATOM 0 HB2 PHE A 99 -6.581 -10.826 -4.766 1.00 0.00 H new ATOM 0 HB3 PHE A 99 -8.088 -10.499 -3.933 1.00 0.00 H new ATOM 0 HD1 PHE A 99 -6.156 -9.705 -6.980 1.00 0.00 H new ATOM 0 HD2 PHE A 99 -9.935 -9.582 -5.091 1.00 0.00 H new ATOM 0 HE1 PHE A 99 -7.223 -9.086 -9.155 1.00 0.00 H new ATOM 0 HE2 PHE A 99 -11.002 -8.960 -7.265 1.00 0.00 H new ATOM 0 HZ PHE A 99 -9.633 -8.720 -9.271 1.00 0.00 H new ATOM 1564 N LEU A 100 -6.393 -8.558 -1.484 1.00 0.00 N ATOM 1565 CA LEU A 100 -5.950 -8.891 -0.141 1.00 0.00 C ATOM 1566 C LEU A 100 -7.143 -9.391 0.676 1.00 0.00 C ATOM 1567 O LEU A 100 -8.233 -8.827 0.597 1.00 0.00 O ATOM 1568 CB LEU A 100 -5.225 -7.702 0.494 1.00 0.00 C ATOM 1569 CG LEU A 100 -4.104 -7.077 -0.339 1.00 0.00 C ATOM 1570 CD1 LEU A 100 -3.124 -8.146 -0.830 1.00 0.00 C ATOM 1571 CD2 LEU A 100 -4.674 -6.250 -1.493 1.00 0.00 C ATOM 0 H LEU A 100 -6.893 -7.672 -1.561 1.00 0.00 H new ATOM 0 HA LEU A 100 -5.221 -9.701 -0.170 1.00 0.00 H new ATOM 0 HB2 LEU A 100 -5.961 -6.929 0.715 1.00 0.00 H new ATOM 0 HB3 LEU A 100 -4.806 -8.024 1.447 1.00 0.00 H new ATOM 0 HG LEU A 100 -3.544 -6.395 0.300 1.00 0.00 H new ATOM 0 HD11 LEU A 100 -2.337 -7.675 -1.419 1.00 0.00 H new ATOM 0 HD12 LEU A 100 -2.681 -8.654 0.026 1.00 0.00 H new ATOM 0 HD13 LEU A 100 -3.655 -8.871 -1.447 1.00 0.00 H new ATOM 0 HD21 LEU A 100 -3.856 -5.817 -2.069 1.00 0.00 H new ATOM 0 HD22 LEU A 100 -5.273 -6.892 -2.139 1.00 0.00 H new ATOM 0 HD23 LEU A 100 -5.299 -5.451 -1.094 1.00 0.00 H new ATOM 1583 N GLN A 101 -6.896 -10.443 1.441 1.00 0.00 N ATOM 1584 CA GLN A 101 -7.936 -11.026 2.272 1.00 0.00 C ATOM 1585 C GLN A 101 -7.903 -10.411 3.673 1.00 0.00 C ATOM 1586 O GLN A 101 -6.859 -10.393 4.322 1.00 0.00 O ATOM 1587 CB GLN A 101 -7.797 -12.548 2.338 1.00 0.00 C ATOM 1588 CG GLN A 101 -8.827 -13.151 3.295 1.00 0.00 C ATOM 1589 CD GLN A 101 -8.144 -13.993 4.375 1.00 0.00 C ATOM 1590 OE1 GLN A 101 -6.944 -14.214 4.360 1.00 0.00 O ATOM 1591 NE2 GLN A 101 -8.972 -14.449 5.310 1.00 0.00 N ATOM 0 H GLN A 101 -5.990 -10.908 1.503 1.00 0.00 H new ATOM 0 HA GLN A 101 -8.902 -10.802 1.821 1.00 0.00 H new ATOM 0 HB2 GLN A 101 -7.928 -12.972 1.343 1.00 0.00 H new ATOM 0 HB3 GLN A 101 -6.792 -12.811 2.667 1.00 0.00 H new ATOM 0 HG2 GLN A 101 -9.406 -12.354 3.762 1.00 0.00 H new ATOM 0 HG3 GLN A 101 -9.529 -13.770 2.736 1.00 0.00 H new ATOM 0 HE21 GLN A 101 -9.966 -14.227 5.263 1.00 0.00 H new ATOM 0 HE22 GLN A 101 -8.613 -15.021 6.074 1.00 0.00 H new ATOM 1600 N ALA A 102 -9.059 -9.922 4.097 1.00 0.00 N ATOM 1601 CA ALA A 102 -9.176 -9.308 5.408 1.00 0.00 C ATOM 1602 C ALA A 102 -9.764 -10.323 6.391 1.00 0.00 C ATOM 1603 O ALA A 102 -10.754 -10.987 6.086 1.00 0.00 O ATOM 1604 CB ALA A 102 -10.024 -8.038 5.304 1.00 0.00 C ATOM 0 H ALA A 102 -9.923 -9.939 3.555 1.00 0.00 H new ATOM 0 HA ALA A 102 -8.195 -9.015 5.783 1.00 0.00 H new ATOM 0 HB1 ALA A 102 -10.112 -7.577 6.288 1.00 0.00 H new ATOM 0 HB2 ALA A 102 -9.548 -7.338 4.617 1.00 0.00 H new ATOM 0 HB3 ALA A 102 -11.017 -8.293 4.933 1.00 0.00 H new ATOM 1610 N ALA A 103 -9.130 -10.411 7.551 1.00 0.00 N ATOM 1611 CA ALA A 103 -9.578 -11.333 8.580 1.00 0.00 C ATOM 1612 C ALA A 103 -11.064 -11.099 8.857 1.00 0.00 C ATOM 1613 O ALA A 103 -11.821 -12.050 9.052 1.00 0.00 O ATOM 1614 CB ALA A 103 -8.717 -11.158 9.833 1.00 0.00 C ATOM 0 H ALA A 103 -8.310 -9.859 7.801 1.00 0.00 H new ATOM 0 HA ALA A 103 -9.463 -12.364 8.247 1.00 0.00 H new ATOM 0 HB1 ALA A 103 -9.053 -11.850 10.605 1.00 0.00 H new ATOM 0 HB2 ALA A 103 -7.675 -11.364 9.590 1.00 0.00 H new ATOM 0 HB3 ALA A 103 -8.809 -10.135 10.198 1.00 0.00 H new ATOM 1620 N THR A 104 -11.439 -9.828 8.867 1.00 0.00 N ATOM 1621 CA THR A 104 -12.821 -9.457 9.117 1.00 0.00 C ATOM 1622 C THR A 104 -13.306 -8.463 8.059 1.00 0.00 C ATOM 1623 O THR A 104 -12.503 -7.900 7.317 1.00 0.00 O ATOM 1624 CB THR A 104 -12.915 -8.919 10.545 1.00 0.00 C ATOM 1625 OG1 THR A 104 -12.380 -7.601 10.456 1.00 0.00 O ATOM 1626 CG2 THR A 104 -11.969 -9.640 11.507 1.00 0.00 C ATOM 0 H THR A 104 -10.809 -9.042 8.706 1.00 0.00 H new ATOM 0 HA THR A 104 -13.483 -10.319 9.035 1.00 0.00 H new ATOM 0 HB THR A 104 -13.940 -9.018 10.902 1.00 0.00 H new ATOM 0 HG1 THR A 104 -12.405 -7.178 11.339 1.00 0.00 H new ATOM 0 HG21 THR A 104 -12.076 -9.219 12.507 1.00 0.00 H new ATOM 0 HG22 THR A 104 -12.215 -10.702 11.532 1.00 0.00 H new ATOM 0 HG23 THR A 104 -10.941 -9.514 11.169 1.00 0.00 H new ATOM 1634 N PRO A 105 -14.652 -8.273 8.023 1.00 0.00 N ATOM 1635 CA PRO A 105 -15.254 -7.357 7.069 1.00 0.00 C ATOM 1636 C PRO A 105 -15.025 -5.903 7.487 1.00 0.00 C ATOM 1637 O PRO A 105 -15.107 -4.996 6.660 1.00 0.00 O ATOM 1638 CB PRO A 105 -16.724 -7.740 7.030 1.00 0.00 C ATOM 1639 CG PRO A 105 -16.981 -8.540 8.297 1.00 0.00 C ATOM 1640 CD PRO A 105 -15.634 -8.924 8.887 1.00 0.00 C ATOM 0 HA PRO A 105 -14.811 -7.432 6.076 1.00 0.00 H new ATOM 0 HB2 PRO A 105 -17.357 -6.854 6.993 1.00 0.00 H new ATOM 0 HB3 PRO A 105 -16.950 -8.331 6.142 1.00 0.00 H new ATOM 0 HG2 PRO A 105 -17.556 -7.950 9.011 1.00 0.00 H new ATOM 0 HG3 PRO A 105 -17.568 -9.431 8.073 1.00 0.00 H new ATOM 0 HD2 PRO A 105 -15.542 -8.583 9.918 1.00 0.00 H new ATOM 0 HD3 PRO A 105 -15.499 -10.006 8.895 1.00 0.00 H new ATOM 1648 N LYS A 106 -14.743 -5.726 8.769 1.00 0.00 N ATOM 1649 CA LYS A 106 -14.502 -4.398 9.306 1.00 0.00 C ATOM 1650 C LYS A 106 -13.150 -3.887 8.803 1.00 0.00 C ATOM 1651 O LYS A 106 -13.003 -2.703 8.504 1.00 0.00 O ATOM 1652 CB LYS A 106 -14.627 -4.406 10.831 1.00 0.00 C ATOM 1653 CG LYS A 106 -14.523 -2.988 11.397 1.00 0.00 C ATOM 1654 CD LYS A 106 -13.530 -2.933 12.559 1.00 0.00 C ATOM 1655 CE LYS A 106 -14.255 -2.722 13.890 1.00 0.00 C ATOM 1656 NZ LYS A 106 -14.041 -1.343 14.384 1.00 0.00 N ATOM 0 H LYS A 106 -14.676 -6.481 9.452 1.00 0.00 H new ATOM 0 HA LYS A 106 -15.260 -3.700 8.950 1.00 0.00 H new ATOM 0 HB2 LYS A 106 -15.581 -4.847 11.119 1.00 0.00 H new ATOM 0 HB3 LYS A 106 -13.844 -5.031 11.260 1.00 0.00 H new ATOM 0 HG2 LYS A 106 -14.207 -2.301 10.612 1.00 0.00 H new ATOM 0 HG3 LYS A 106 -15.504 -2.655 11.736 1.00 0.00 H new ATOM 0 HD2 LYS A 106 -12.956 -3.859 12.596 1.00 0.00 H new ATOM 0 HD3 LYS A 106 -12.818 -2.124 12.396 1.00 0.00 H new ATOM 0 HE2 LYS A 106 -15.322 -2.908 13.763 1.00 0.00 H new ATOM 0 HE3 LYS A 106 -13.892 -3.439 14.626 1.00 0.00 H new ATOM 0 HZ1 LYS A 106 -14.540 -1.217 15.288 1.00 0.00 H new ATOM 0 HZ2 LYS A 106 -13.024 -1.178 14.524 1.00 0.00 H new ATOM 0 HZ3 LYS A 106 -14.409 -0.664 13.688 1.00 0.00 H new ATOM 1670 N GLU A 107 -12.198 -4.804 8.725 1.00 0.00 N ATOM 1671 CA GLU A 107 -10.864 -4.461 8.263 1.00 0.00 C ATOM 1672 C GLU A 107 -10.891 -4.115 6.772 1.00 0.00 C ATOM 1673 O GLU A 107 -10.272 -3.141 6.346 1.00 0.00 O ATOM 1674 CB GLU A 107 -9.877 -5.596 8.544 1.00 0.00 C ATOM 1675 CG GLU A 107 -8.433 -5.124 8.365 1.00 0.00 C ATOM 1676 CD GLU A 107 -7.958 -4.336 9.588 1.00 0.00 C ATOM 1677 OE1 GLU A 107 -8.733 -3.463 10.037 1.00 0.00 O ATOM 1678 OE2 GLU A 107 -6.832 -4.623 10.046 1.00 0.00 O ATOM 0 H GLU A 107 -12.324 -5.785 8.974 1.00 0.00 H new ATOM 0 HA GLU A 107 -10.525 -3.584 8.814 1.00 0.00 H new ATOM 0 HB2 GLU A 107 -10.020 -5.964 9.560 1.00 0.00 H new ATOM 0 HB3 GLU A 107 -10.076 -6.431 7.872 1.00 0.00 H new ATOM 0 HG2 GLU A 107 -7.782 -5.984 8.207 1.00 0.00 H new ATOM 0 HG3 GLU A 107 -8.358 -4.500 7.474 1.00 0.00 H new ATOM 1685 N ARG A 108 -11.614 -4.932 6.021 1.00 0.00 N ATOM 1686 CA ARG A 108 -11.730 -4.725 4.587 1.00 0.00 C ATOM 1687 C ARG A 108 -12.071 -3.264 4.288 1.00 0.00 C ATOM 1688 O ARG A 108 -11.451 -2.642 3.427 1.00 0.00 O ATOM 1689 CB ARG A 108 -12.809 -5.627 3.986 1.00 0.00 C ATOM 1690 CG ARG A 108 -12.744 -5.616 2.457 1.00 0.00 C ATOM 1691 CD ARG A 108 -14.129 -5.386 1.851 1.00 0.00 C ATOM 1692 NE ARG A 108 -14.446 -3.940 1.844 1.00 0.00 N ATOM 1693 CZ ARG A 108 -15.690 -3.444 1.803 1.00 0.00 C ATOM 1694 NH1 ARG A 108 -16.741 -4.273 1.765 1.00 0.00 N ATOM 1695 NH2 ARG A 108 -15.882 -2.118 1.801 1.00 0.00 N ATOM 0 H ARG A 108 -12.126 -5.739 6.378 1.00 0.00 H new ATOM 0 HA ARG A 108 -10.770 -4.977 4.137 1.00 0.00 H new ATOM 0 HB2 ARG A 108 -12.681 -6.646 4.352 1.00 0.00 H new ATOM 0 HB3 ARG A 108 -13.793 -5.291 4.314 1.00 0.00 H new ATOM 0 HG2 ARG A 108 -12.063 -4.833 2.124 1.00 0.00 H new ATOM 0 HG3 ARG A 108 -12.340 -6.563 2.100 1.00 0.00 H new ATOM 0 HD2 ARG A 108 -14.160 -5.778 0.834 1.00 0.00 H new ATOM 0 HD3 ARG A 108 -14.880 -5.928 2.425 1.00 0.00 H new ATOM 0 HE ARG A 108 -13.669 -3.280 1.872 1.00 0.00 H new ATOM 0 HH11 ARG A 108 -16.595 -5.282 1.767 1.00 0.00 H new ATOM 0 HH12 ARG A 108 -17.688 -3.895 1.734 1.00 0.00 H new ATOM 0 HH21 ARG A 108 -15.081 -1.487 1.831 1.00 0.00 H new ATOM 0 HH22 ARG A 108 -16.829 -1.740 1.770 1.00 0.00 H new ATOM 1709 N THR A 109 -13.056 -2.759 5.016 1.00 0.00 N ATOM 1710 CA THR A 109 -13.487 -1.382 4.839 1.00 0.00 C ATOM 1711 C THR A 109 -12.426 -0.418 5.373 1.00 0.00 C ATOM 1712 O THR A 109 -12.106 0.579 4.727 1.00 0.00 O ATOM 1713 CB THR A 109 -14.849 -1.223 5.518 1.00 0.00 C ATOM 1714 OG1 THR A 109 -15.787 -1.508 4.484 1.00 0.00 O ATOM 1715 CG2 THR A 109 -15.146 0.228 5.901 1.00 0.00 C ATOM 0 H THR A 109 -13.568 -3.278 5.729 1.00 0.00 H new ATOM 0 HA THR A 109 -13.602 -1.136 3.783 1.00 0.00 H new ATOM 0 HB THR A 109 -14.886 -1.849 6.410 1.00 0.00 H new ATOM 0 HG1 THR A 109 -16.698 -1.430 4.838 1.00 0.00 H new ATOM 0 HG21 THR A 109 -16.124 0.285 6.379 1.00 0.00 H new ATOM 0 HG22 THR A 109 -14.383 0.585 6.592 1.00 0.00 H new ATOM 0 HG23 THR A 109 -15.143 0.849 5.005 1.00 0.00 H new ATOM 1723 N GLU A 110 -11.908 -0.750 6.547 1.00 0.00 N ATOM 1724 CA GLU A 110 -10.889 0.074 7.175 1.00 0.00 C ATOM 1725 C GLU A 110 -9.683 0.226 6.246 1.00 0.00 C ATOM 1726 O GLU A 110 -9.332 1.339 5.855 1.00 0.00 O ATOM 1727 CB GLU A 110 -10.471 -0.506 8.527 1.00 0.00 C ATOM 1728 CG GLU A 110 -11.538 -0.244 9.591 1.00 0.00 C ATOM 1729 CD GLU A 110 -10.904 0.245 10.895 1.00 0.00 C ATOM 1730 OE1 GLU A 110 -10.196 -0.572 11.522 1.00 0.00 O ATOM 1731 OE2 GLU A 110 -11.143 1.424 11.235 1.00 0.00 O ATOM 0 H GLU A 110 -12.175 -1.578 7.079 1.00 0.00 H new ATOM 0 HA GLU A 110 -11.310 1.063 7.356 1.00 0.00 H new ATOM 0 HB2 GLU A 110 -10.305 -1.579 8.430 1.00 0.00 H new ATOM 0 HB3 GLU A 110 -9.525 -0.064 8.839 1.00 0.00 H new ATOM 0 HG2 GLU A 110 -12.246 0.500 9.226 1.00 0.00 H new ATOM 0 HG3 GLU A 110 -12.103 -1.157 9.777 1.00 0.00 H new ATOM 1738 N TRP A 111 -9.081 -0.908 5.920 1.00 0.00 N ATOM 1739 CA TRP A 111 -7.921 -0.915 5.045 1.00 0.00 C ATOM 1740 C TRP A 111 -8.185 0.068 3.902 1.00 0.00 C ATOM 1741 O TRP A 111 -7.435 1.025 3.716 1.00 0.00 O ATOM 1742 CB TRP A 111 -7.612 -2.331 4.556 1.00 0.00 C ATOM 1743 CG TRP A 111 -6.446 -3.001 5.285 1.00 0.00 C ATOM 1744 CD1 TRP A 111 -6.414 -4.215 5.851 1.00 0.00 C ATOM 1745 CD2 TRP A 111 -5.134 -2.440 5.506 1.00 0.00 C ATOM 1746 NE1 TRP A 111 -5.184 -4.478 6.418 1.00 0.00 N ATOM 1747 CE2 TRP A 111 -4.380 -3.364 6.202 1.00 0.00 C ATOM 1748 CE3 TRP A 111 -4.602 -1.194 5.131 1.00 0.00 C ATOM 1749 CZ2 TRP A 111 -3.052 -3.139 6.582 1.00 0.00 C ATOM 1750 CZ3 TRP A 111 -3.273 -0.985 5.519 1.00 0.00 C ATOM 1751 CH2 TRP A 111 -2.501 -1.904 6.219 1.00 0.00 C ATOM 0 H TRP A 111 -9.375 -1.829 6.246 1.00 0.00 H new ATOM 0 HA TRP A 111 -7.030 -0.592 5.583 1.00 0.00 H new ATOM 0 HB2 TRP A 111 -8.503 -2.948 4.674 1.00 0.00 H new ATOM 0 HB3 TRP A 111 -7.388 -2.295 3.490 1.00 0.00 H new ATOM 0 HD1 TRP A 111 -7.247 -4.902 5.862 1.00 0.00 H new ATOM 0 HE1 TRP A 111 -4.914 -5.332 6.906 1.00 0.00 H new ATOM 0 HE3 TRP A 111 -5.173 -0.456 4.587 1.00 0.00 H new ATOM 0 HZ2 TRP A 111 -2.483 -3.878 7.126 1.00 0.00 H new ATOM 0 HZ3 TRP A 111 -2.816 -0.043 5.256 1.00 0.00 H new ATOM 0 HH2 TRP A 111 -1.481 -1.667 6.482 1.00 0.00 H new ATOM 1762 N ILE A 112 -9.254 -0.202 3.167 1.00 0.00 N ATOM 1763 CA ILE A 112 -9.626 0.646 2.048 1.00 0.00 C ATOM 1764 C ILE A 112 -9.485 2.114 2.457 1.00 0.00 C ATOM 1765 O ILE A 112 -8.631 2.828 1.933 1.00 0.00 O ATOM 1766 CB ILE A 112 -11.023 0.281 1.540 1.00 0.00 C ATOM 1767 CG1 ILE A 112 -10.949 -0.808 0.469 1.00 0.00 C ATOM 1768 CG2 ILE A 112 -11.768 1.523 1.046 1.00 0.00 C ATOM 1769 CD1 ILE A 112 -11.758 -2.039 0.881 1.00 0.00 C ATOM 0 H ILE A 112 -9.874 -0.996 3.325 1.00 0.00 H new ATOM 0 HA ILE A 112 -8.953 0.483 1.206 1.00 0.00 H new ATOM 0 HB ILE A 112 -11.595 -0.127 2.374 1.00 0.00 H new ATOM 0 HG12 ILE A 112 -11.328 -0.419 -0.476 1.00 0.00 H new ATOM 0 HG13 ILE A 112 -9.909 -1.090 0.304 1.00 0.00 H new ATOM 0 HG21 ILE A 112 -12.758 1.236 0.690 1.00 0.00 H new ATOM 0 HG22 ILE A 112 -11.869 2.236 1.864 1.00 0.00 H new ATOM 0 HG23 ILE A 112 -11.209 1.983 0.231 1.00 0.00 H new ATOM 0 HD11 ILE A 112 -11.688 -2.798 0.102 1.00 0.00 H new ATOM 0 HD12 ILE A 112 -11.361 -2.440 1.814 1.00 0.00 H new ATOM 0 HD13 ILE A 112 -12.802 -1.758 1.021 1.00 0.00 H new ATOM 1781 N LYS A 113 -10.334 2.520 3.389 1.00 0.00 N ATOM 1782 CA LYS A 113 -10.314 3.889 3.874 1.00 0.00 C ATOM 1783 C LYS A 113 -8.902 4.238 4.348 1.00 0.00 C ATOM 1784 O LYS A 113 -8.522 5.407 4.372 1.00 0.00 O ATOM 1785 CB LYS A 113 -11.390 4.095 4.943 1.00 0.00 C ATOM 1786 CG LYS A 113 -12.717 3.466 4.513 1.00 0.00 C ATOM 1787 CD LYS A 113 -13.864 4.472 4.633 1.00 0.00 C ATOM 1788 CE LYS A 113 -14.739 4.163 5.849 1.00 0.00 C ATOM 1789 NZ LYS A 113 -15.151 5.415 6.522 1.00 0.00 N ATOM 0 H LYS A 113 -11.040 1.925 3.821 1.00 0.00 H new ATOM 0 HA LYS A 113 -10.560 4.581 3.069 1.00 0.00 H new ATOM 0 HB2 LYS A 113 -11.062 3.653 5.884 1.00 0.00 H new ATOM 0 HB3 LYS A 113 -11.530 5.161 5.123 1.00 0.00 H new ATOM 0 HG2 LYS A 113 -12.641 3.116 3.483 1.00 0.00 H new ATOM 0 HG3 LYS A 113 -12.927 2.593 5.131 1.00 0.00 H new ATOM 0 HD2 LYS A 113 -13.460 5.481 4.718 1.00 0.00 H new ATOM 0 HD3 LYS A 113 -14.471 4.447 3.728 1.00 0.00 H new ATOM 0 HE2 LYS A 113 -15.621 3.603 5.537 1.00 0.00 H new ATOM 0 HE3 LYS A 113 -14.191 3.531 6.548 1.00 0.00 H new ATOM 0 HZ1 LYS A 113 -15.744 5.188 7.345 1.00 0.00 H new ATOM 0 HZ2 LYS A 113 -14.307 5.934 6.837 1.00 0.00 H new ATOM 0 HZ3 LYS A 113 -15.692 6.004 5.858 1.00 0.00 H new ATOM 1803 N ALA A 114 -8.163 3.201 4.714 1.00 0.00 N ATOM 1804 CA ALA A 114 -6.801 3.383 5.187 1.00 0.00 C ATOM 1805 C ALA A 114 -5.900 3.745 4.004 1.00 0.00 C ATOM 1806 O ALA A 114 -5.252 4.790 4.011 1.00 0.00 O ATOM 1807 CB ALA A 114 -6.336 2.115 5.906 1.00 0.00 C ATOM 0 H ALA A 114 -8.481 2.232 4.693 1.00 0.00 H new ATOM 0 HA ALA A 114 -6.750 4.202 5.904 1.00 0.00 H new ATOM 0 HB1 ALA A 114 -5.314 2.252 6.261 1.00 0.00 H new ATOM 0 HB2 ALA A 114 -6.991 1.917 6.754 1.00 0.00 H new ATOM 0 HB3 ALA A 114 -6.371 1.272 5.216 1.00 0.00 H new ATOM 1813 N ILE A 115 -5.888 2.860 3.018 1.00 0.00 N ATOM 1814 CA ILE A 115 -5.077 3.074 1.831 1.00 0.00 C ATOM 1815 C ILE A 115 -5.479 4.396 1.175 1.00 0.00 C ATOM 1816 O ILE A 115 -4.626 5.137 0.688 1.00 0.00 O ATOM 1817 CB ILE A 115 -5.171 1.869 0.894 1.00 0.00 C ATOM 1818 CG1 ILE A 115 -4.431 0.662 1.475 1.00 0.00 C ATOM 1819 CG2 ILE A 115 -4.674 2.224 -0.509 1.00 0.00 C ATOM 1820 CD1 ILE A 115 -5.401 -0.482 1.779 1.00 0.00 C ATOM 0 H ILE A 115 -6.426 1.994 3.017 1.00 0.00 H new ATOM 0 HA ILE A 115 -4.024 3.159 2.099 1.00 0.00 H new ATOM 0 HB ILE A 115 -6.221 1.590 0.803 1.00 0.00 H new ATOM 0 HG12 ILE A 115 -3.672 0.322 0.770 1.00 0.00 H new ATOM 0 HG13 ILE A 115 -3.911 0.954 2.387 1.00 0.00 H new ATOM 0 HG21 ILE A 115 -4.752 1.349 -1.155 1.00 0.00 H new ATOM 0 HG22 ILE A 115 -5.282 3.031 -0.917 1.00 0.00 H new ATOM 0 HG23 ILE A 115 -3.634 2.544 -0.456 1.00 0.00 H new ATOM 0 HD11 ILE A 115 -4.849 -1.327 2.191 1.00 0.00 H new ATOM 0 HD12 ILE A 115 -6.144 -0.146 2.503 1.00 0.00 H new ATOM 0 HD13 ILE A 115 -5.902 -0.788 0.860 1.00 0.00 H new ATOM 1832 N GLN A 116 -6.779 4.653 1.183 1.00 0.00 N ATOM 1833 CA GLN A 116 -7.305 5.873 0.595 1.00 0.00 C ATOM 1834 C GLN A 116 -6.734 7.097 1.313 1.00 0.00 C ATOM 1835 O GLN A 116 -6.213 8.009 0.673 1.00 0.00 O ATOM 1836 CB GLN A 116 -8.835 5.882 0.627 1.00 0.00 C ATOM 1837 CG GLN A 116 -9.405 4.659 -0.094 1.00 0.00 C ATOM 1838 CD GLN A 116 -10.355 5.078 -1.218 1.00 0.00 C ATOM 1839 OE1 GLN A 116 -11.444 4.322 -1.316 1.00 0.00 O flip ATOM 1840 NE2 GLN A 116 -10.115 6.027 -1.947 1.00 0.00 N flip ATOM 0 H GLN A 116 -7.484 4.037 1.588 1.00 0.00 H new ATOM 0 HA GLN A 116 -6.996 5.912 -0.450 1.00 0.00 H new ATOM 0 HB2 GLN A 116 -9.181 5.893 1.661 1.00 0.00 H new ATOM 0 HB3 GLN A 116 -9.207 6.792 0.157 1.00 0.00 H new ATOM 0 HG2 GLN A 116 -8.591 4.062 -0.505 1.00 0.00 H new ATOM 0 HG3 GLN A 116 -9.935 4.027 0.618 1.00 0.00 H new ATOM 0 HE21 GLN A 116 -9.259 6.566 -1.817 1.00 0.00 H new ATOM 0 HE22 GLN A 116 -10.770 6.281 -2.686 1.00 0.00 H new ATOM 1849 N MET A 117 -6.852 7.077 2.633 1.00 0.00 N ATOM 1850 CA MET A 117 -6.354 8.175 3.445 1.00 0.00 C ATOM 1851 C MET A 117 -4.931 8.559 3.035 1.00 0.00 C ATOM 1852 O MET A 117 -4.607 9.741 2.937 1.00 0.00 O ATOM 1853 CB MET A 117 -6.368 7.766 4.919 1.00 0.00 C ATOM 1854 CG MET A 117 -4.956 7.785 5.507 1.00 0.00 C ATOM 1855 SD MET A 117 -5.022 7.482 7.265 1.00 0.00 S ATOM 1856 CE MET A 117 -5.719 5.839 7.270 1.00 0.00 C ATOM 0 H MET A 117 -7.285 6.318 3.160 1.00 0.00 H new ATOM 0 HA MET A 117 -7.001 9.039 3.292 1.00 0.00 H new ATOM 0 HB2 MET A 117 -7.009 8.444 5.482 1.00 0.00 H new ATOM 0 HB3 MET A 117 -6.794 6.768 5.019 1.00 0.00 H new ATOM 0 HG2 MET A 117 -4.341 7.027 5.022 1.00 0.00 H new ATOM 0 HG3 MET A 117 -4.486 8.749 5.313 1.00 0.00 H new ATOM 0 HE1 MET A 117 -5.649 5.417 8.273 1.00 0.00 H new ATOM 0 HE2 MET A 117 -6.765 5.887 6.968 1.00 0.00 H new ATOM 0 HE3 MET A 117 -5.169 5.208 6.572 1.00 0.00 H new ATOM 1866 N ALA A 118 -4.119 7.537 2.806 1.00 0.00 N ATOM 1867 CA ALA A 118 -2.738 7.752 2.409 1.00 0.00 C ATOM 1868 C ALA A 118 -2.697 8.206 0.948 1.00 0.00 C ATOM 1869 O ALA A 118 -2.181 9.280 0.643 1.00 0.00 O ATOM 1870 CB ALA A 118 -1.934 6.472 2.644 1.00 0.00 C ATOM 0 H ALA A 118 -4.391 6.557 2.888 1.00 0.00 H new ATOM 0 HA ALA A 118 -2.283 8.538 3.012 1.00 0.00 H new ATOM 0 HB1 ALA A 118 -0.898 6.633 2.346 1.00 0.00 H new ATOM 0 HB2 ALA A 118 -1.971 6.208 3.701 1.00 0.00 H new ATOM 0 HB3 ALA A 118 -2.360 5.661 2.053 1.00 0.00 H new ATOM 1876 N SER A 119 -3.248 7.366 0.085 1.00 0.00 N ATOM 1877 CA SER A 119 -3.281 7.668 -1.336 1.00 0.00 C ATOM 1878 C SER A 119 -3.833 9.077 -1.559 1.00 0.00 C ATOM 1879 O SER A 119 -3.474 9.742 -2.530 1.00 0.00 O ATOM 1880 CB SER A 119 -4.122 6.642 -2.098 1.00 0.00 C ATOM 1881 OG SER A 119 -5.513 6.776 -1.816 1.00 0.00 O ATOM 0 H SER A 119 -3.675 6.476 0.342 1.00 0.00 H new ATOM 0 HA SER A 119 -2.262 7.619 -1.719 1.00 0.00 H new ATOM 0 HB2 SER A 119 -3.956 6.761 -3.169 1.00 0.00 H new ATOM 0 HB3 SER A 119 -3.794 5.637 -1.834 1.00 0.00 H new ATOM 0 HG SER A 119 -5.630 7.222 -0.951 1.00 0.00 H new ATOM 1887 N ARG A 120 -4.697 9.492 -0.644 1.00 0.00 N ATOM 1888 CA ARG A 120 -5.301 10.810 -0.729 1.00 0.00 C ATOM 1889 C ARG A 120 -4.221 11.893 -0.693 1.00 0.00 C ATOM 1890 O ARG A 120 -4.390 12.963 -1.276 1.00 0.00 O ATOM 1891 CB ARG A 120 -6.283 11.041 0.422 1.00 0.00 C ATOM 1892 CG ARG A 120 -7.665 10.476 0.086 1.00 0.00 C ATOM 1893 CD ARG A 120 -8.372 11.342 -0.959 1.00 0.00 C ATOM 1894 NE ARG A 120 -9.795 10.950 -1.062 1.00 0.00 N ATOM 1895 CZ ARG A 120 -10.717 11.215 -0.127 1.00 0.00 C ATOM 1896 NH1 ARG A 120 -10.371 11.874 0.988 1.00 0.00 N ATOM 1897 NH2 ARG A 120 -11.985 10.821 -0.305 1.00 0.00 N ATOM 0 H ARG A 120 -4.993 8.938 0.160 1.00 0.00 H new ATOM 0 HA ARG A 120 -5.844 10.865 -1.672 1.00 0.00 H new ATOM 0 HB2 ARG A 120 -5.904 10.569 1.328 1.00 0.00 H new ATOM 0 HB3 ARG A 120 -6.363 12.108 0.628 1.00 0.00 H new ATOM 0 HG2 ARG A 120 -7.564 9.457 -0.289 1.00 0.00 H new ATOM 0 HG3 ARG A 120 -8.271 10.424 0.991 1.00 0.00 H new ATOM 0 HD2 ARG A 120 -8.295 12.394 -0.684 1.00 0.00 H new ATOM 0 HD3 ARG A 120 -7.884 11.229 -1.927 1.00 0.00 H new ATOM 0 HE ARG A 120 -10.093 10.446 -1.898 1.00 0.00 H new ATOM 0 HH11 ARG A 120 -9.406 12.174 1.124 1.00 0.00 H new ATOM 0 HH12 ARG A 120 -11.073 12.076 1.700 1.00 0.00 H new ATOM 0 HH21 ARG A 120 -12.249 10.319 -1.153 1.00 0.00 H new ATOM 0 HH22 ARG A 120 -12.687 11.023 0.407 1.00 0.00 H new