USER MOD reduce.3.24.130724 H: found=0, std=0, add=630, rem=0, adj=35 USER MOD reduce.3.24.130724 removed 633 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 96 MET CE :methyl -127:sc= -2.13 (180deg=-4.16!) USER MOD Set 1.2: A 98 THR OG1 : rot 180:sc= 0 USER MOD Set 2.1: A 63 SER OG : rot 135:sc= 1.22 USER MOD Set 2.2: A 111 HIS :FLIP no HE2:sc= -5.39! C(o=-5.1!,f=-4.2!) USER MOD Set 3.1: A 31 THR OG1 : rot -84:sc= 0.198 USER MOD Set 3.2: A 32 HIS : no HD1:sc= 1.11 K(o=1.3,f=-4.1!) USER MOD Single : A 19 MET CE :methyl -171:sc= -2.89! (180deg=-3.26!) USER MOD Single : A 26 GLN : amide:sc= -0.0292 K(o=-0.029,f=-1.4!) USER MOD Single : A 38 SER OG : rot 180:sc= 0 USER MOD Single : A 56 TYR OH : rot 30:sc= 0 USER MOD Single : A 57 THR OG1 : rot 180:sc= 0 USER MOD Single : A 62 THR OG1 : rot 43:sc= 0.0834 USER MOD Single : A 70 TYR OH : rot 180:sc= 0 USER MOD Single : A 71 LYS NZ :NH3+ -163:sc= -0.0458 (180deg=-0.296) USER MOD Single : A 72 SER OG : rot 180:sc= 0 USER MOD Single : A 75 THR OG1 : rot 180:sc= 0 USER MOD Single : A 76 THR OG1 : rot 180:sc= 0 USER MOD Single : A 77 SER OG : rot 180:sc= 0 USER MOD Single : A 79 SER OG : rot 41:sc= 0.0921 USER MOD Single : A 80 TYR OH : rot 130:sc= -1 USER MOD Single : A 81 THR OG1 : rot 180:sc= 0 USER MOD Single : A 83 THR OG1 : rot 180:sc= 0 USER MOD Single : A 86 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 88 ASN :FLIP amide:sc= -4.23! C(o=-6!,f=-4.2!) USER MOD Single : A 89 THR OG1 : rot 64:sc= -0.0809 USER MOD Single : A 90 MET CE :methyl -149:sc= -0.342 (180deg=-1.33!) USER MOD Single : A 91 TYR OH : rot 63:sc= 0.195 USER MOD Single : A 94 SER OG : rot 86:sc= 0.322 USER MOD Single : A 99 LYS NZ :NH3+ 162:sc= -0.788 (180deg=-0.971) USER MOD Single : A 100 ASN : amide:sc= -0.112 X(o=-0.11,f=-0.00022) USER MOD Single : A 103 SER OG : rot 180:sc= 0 USER MOD Single : A 104 SER OG : rot 170:sc= 0.0511 USER MOD Single : A 105 THR OG1 : rot 180:sc= -0.12 USER MOD Single : A 107 SER OG : rot 143:sc= 0.783 USER MOD Single : A 108 MET CE :methyl 137:sc= -0.934 (180deg=-1.49) USER MOD Single : A 109 THR OG1 : rot 180:sc= 0 USER MOD Single : A 113 THR OG1 : rot 180:sc= -0.755 USER MOD Single : A 114 THR OG1 : rot -171:sc= 1.37 USER MOD Single : A 115 TYR OH : rot 161:sc= 0.0736 USER MOD ----------------------------------------------------------------- ATOM 225 N MET A 19 4.565 17.253 3.870 1.00 0.00 N ATOM 226 CA MET A 19 3.631 16.782 2.853 1.00 0.00 C ATOM 227 C MET A 19 2.534 15.925 3.477 1.00 0.00 C ATOM 228 O MET A 19 2.758 15.246 4.480 1.00 0.00 O ATOM 229 CB MET A 19 4.372 15.980 1.781 1.00 0.00 C ATOM 230 CG MET A 19 5.260 16.834 0.890 1.00 0.00 C ATOM 231 SD MET A 19 5.403 16.175 -0.783 1.00 0.00 S ATOM 232 CE MET A 19 3.696 16.245 -1.321 1.00 0.00 C ATOM 0 HA MET A 19 3.168 17.653 2.390 1.00 0.00 H new ATOM 0 HB2 MET A 19 4.983 15.218 2.266 1.00 0.00 H new ATOM 0 HB3 MET A 19 3.643 15.458 1.161 1.00 0.00 H new ATOM 0 HG2 MET A 19 4.857 17.846 0.845 1.00 0.00 H new ATOM 0 HG3 MET A 19 6.253 16.906 1.334 1.00 0.00 H new ATOM 0 HE1 MET A 19 3.593 15.725 -2.274 1.00 0.00 H new ATOM 0 HE2 MET A 19 3.060 15.767 -0.576 1.00 0.00 H new ATOM 0 HE3 MET A 19 3.395 17.286 -1.441 1.00 0.00 H new ATOM 242 N LEU A 20 1.348 15.962 2.879 1.00 0.00 N ATOM 243 CA LEU A 20 0.216 15.189 3.377 1.00 0.00 C ATOM 244 C LEU A 20 -0.005 13.939 2.530 1.00 0.00 C ATOM 245 O LEU A 20 -0.463 14.006 1.389 1.00 0.00 O ATOM 246 CB LEU A 20 -1.050 16.047 3.380 1.00 0.00 C ATOM 247 CG LEU A 20 -2.062 15.746 4.487 1.00 0.00 C ATOM 248 CD1 LEU A 20 -2.667 14.364 4.296 1.00 0.00 C ATOM 249 CD2 LEU A 20 -1.405 15.858 5.855 1.00 0.00 C ATOM 0 H LEU A 20 1.146 16.519 2.049 1.00 0.00 H new ATOM 0 HA LEU A 20 0.440 14.879 4.398 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -0.755 17.093 3.459 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -1.548 15.928 2.418 1.00 0.00 H new ATOM 0 HG LEU A 20 -2.864 16.482 4.430 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -3.384 14.168 5.093 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -3.174 14.319 3.332 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -1.877 13.614 4.326 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -2.140 15.641 6.630 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -0.583 15.145 5.923 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -1.021 16.869 5.992 1.00 0.00 H new ATOM 261 N PRO A 21 0.326 12.771 3.101 1.00 0.00 N ATOM 262 CA PRO A 21 0.170 11.484 2.417 1.00 0.00 C ATOM 263 C PRO A 21 -1.293 11.095 2.240 1.00 0.00 C ATOM 264 O PRO A 21 -2.193 11.679 2.845 1.00 0.00 O ATOM 265 CB PRO A 21 0.877 10.498 3.351 1.00 0.00 C ATOM 266 CG PRO A 21 0.806 11.135 4.697 1.00 0.00 C ATOM 267 CD PRO A 21 0.878 12.618 4.457 1.00 0.00 C ATOM 0 HA PRO A 21 0.582 11.506 1.408 1.00 0.00 H new ATOM 0 HB2 PRO A 21 0.384 9.526 3.347 1.00 0.00 H new ATOM 0 HB3 PRO A 21 1.910 10.333 3.045 1.00 0.00 H new ATOM 0 HG2 PRO A 21 -0.119 10.867 5.208 1.00 0.00 H new ATOM 0 HG3 PRO A 21 1.628 10.802 5.330 1.00 0.00 H new ATOM 0 HD2 PRO A 21 0.296 13.173 5.193 1.00 0.00 H new ATOM 0 HD3 PRO A 21 1.902 12.986 4.518 1.00 0.00 H new ATOM 275 N PRO A 22 -1.540 10.085 1.393 1.00 0.00 N ATOM 276 CA PRO A 22 -2.894 9.595 1.118 1.00 0.00 C ATOM 277 C PRO A 22 -3.502 8.870 2.314 1.00 0.00 C ATOM 278 O PRO A 22 -2.817 8.596 3.300 1.00 0.00 O ATOM 279 CB PRO A 22 -2.690 8.625 -0.048 1.00 0.00 C ATOM 280 CG PRO A 22 -1.276 8.173 0.077 1.00 0.00 C ATOM 281 CD PRO A 22 -0.516 9.343 0.638 1.00 0.00 C ATOM 0 HA PRO A 22 -3.585 10.409 0.898 1.00 0.00 H new ATOM 0 HB2 PRO A 22 -3.381 7.784 0.011 1.00 0.00 H new ATOM 0 HB3 PRO A 22 -2.866 9.115 -1.006 1.00 0.00 H new ATOM 0 HG2 PRO A 22 -1.200 7.307 0.734 1.00 0.00 H new ATOM 0 HG3 PRO A 22 -0.874 7.875 -0.891 1.00 0.00 H new ATOM 0 HD2 PRO A 22 0.302 9.019 1.282 1.00 0.00 H new ATOM 0 HD3 PRO A 22 -0.078 9.953 -0.152 1.00 0.00 H new ATOM 289 N VAL A 23 -4.791 8.561 2.220 1.00 0.00 N ATOM 290 CA VAL A 23 -5.491 7.865 3.294 1.00 0.00 C ATOM 291 C VAL A 23 -6.397 6.771 2.741 1.00 0.00 C ATOM 292 O VAL A 23 -6.533 6.617 1.529 1.00 0.00 O ATOM 293 CB VAL A 23 -6.336 8.840 4.136 1.00 0.00 C ATOM 294 CG1 VAL A 23 -5.450 9.894 4.782 1.00 0.00 C ATOM 295 CG2 VAL A 23 -7.413 9.488 3.280 1.00 0.00 C ATOM 0 H VAL A 23 -5.372 8.781 1.411 1.00 0.00 H new ATOM 0 HA VAL A 23 -4.729 7.414 3.929 1.00 0.00 H new ATOM 0 HB VAL A 23 -6.826 8.276 4.930 1.00 0.00 H new ATOM 0 HG11 VAL A 23 -6.064 10.574 5.373 1.00 0.00 H new ATOM 0 HG12 VAL A 23 -4.720 9.408 5.430 1.00 0.00 H new ATOM 0 HG13 VAL A 23 -4.929 10.456 4.007 1.00 0.00 H new ATOM 0 HG21 VAL A 23 -8.000 10.173 3.891 1.00 0.00 H new ATOM 0 HG22 VAL A 23 -6.946 10.039 2.463 1.00 0.00 H new ATOM 0 HG23 VAL A 23 -8.066 8.717 2.871 1.00 0.00 H new ATOM 305 N GLY A 24 -7.016 6.012 3.641 1.00 0.00 N ATOM 306 CA GLY A 24 -7.902 4.941 3.224 1.00 0.00 C ATOM 307 C GLY A 24 -7.254 4.010 2.219 1.00 0.00 C ATOM 308 O GLY A 24 -7.932 3.433 1.369 1.00 0.00 O ATOM 0 H GLY A 24 -6.920 6.120 4.651 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -8.211 4.368 4.098 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -8.805 5.369 2.788 1.00 0.00 H new ATOM 312 N VAL A 25 -5.936 3.864 2.315 1.00 0.00 N ATOM 313 CA VAL A 25 -5.195 2.996 1.407 1.00 0.00 C ATOM 314 C VAL A 25 -5.726 1.568 1.456 1.00 0.00 C ATOM 315 O VAL A 25 -5.492 0.842 2.421 1.00 0.00 O ATOM 316 CB VAL A 25 -3.692 2.985 1.743 1.00 0.00 C ATOM 317 CG1 VAL A 25 -2.924 2.153 0.727 1.00 0.00 C ATOM 318 CG2 VAL A 25 -3.149 4.405 1.800 1.00 0.00 C ATOM 0 H VAL A 25 -5.360 4.335 3.012 1.00 0.00 H new ATOM 0 HA VAL A 25 -5.332 3.397 0.403 1.00 0.00 H new ATOM 0 HB VAL A 25 -3.560 2.530 2.725 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -1.864 2.157 0.980 1.00 0.00 H new ATOM 0 HG12 VAL A 25 -3.296 1.129 0.739 1.00 0.00 H new ATOM 0 HG13 VAL A 25 -3.061 2.577 -0.268 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -2.086 4.379 2.039 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -3.292 4.888 0.834 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -3.679 4.967 2.569 1.00 0.00 H new ATOM 328 N GLN A 26 -6.442 1.173 0.408 1.00 0.00 N ATOM 329 CA GLN A 26 -7.006 -0.170 0.331 1.00 0.00 C ATOM 330 C GLN A 26 -6.298 -0.998 -0.735 1.00 0.00 C ATOM 331 O GLN A 26 -5.951 -0.490 -1.801 1.00 0.00 O ATOM 332 CB GLN A 26 -8.504 -0.099 0.028 1.00 0.00 C ATOM 333 CG GLN A 26 -9.141 -1.459 -0.213 1.00 0.00 C ATOM 334 CD GLN A 26 -9.380 -2.227 1.072 1.00 0.00 C ATOM 335 OE1 GLN A 26 -9.509 -1.639 2.146 1.00 0.00 O ATOM 336 NE2 GLN A 26 -9.440 -3.549 0.968 1.00 0.00 N ATOM 0 H GLN A 26 -6.645 1.763 -0.399 1.00 0.00 H new ATOM 0 HA GLN A 26 -6.860 -0.654 1.296 1.00 0.00 H new ATOM 0 HB2 GLN A 26 -9.012 0.389 0.860 1.00 0.00 H new ATOM 0 HB3 GLN A 26 -8.659 0.527 -0.851 1.00 0.00 H new ATOM 0 HG2 GLN A 26 -10.089 -1.325 -0.733 1.00 0.00 H new ATOM 0 HG3 GLN A 26 -8.498 -2.046 -0.869 1.00 0.00 H new ATOM 0 HE21 GLN A 26 -9.328 -3.995 0.057 1.00 0.00 H new ATOM 0 HE22 GLN A 26 -9.599 -4.119 1.799 1.00 0.00 H new ATOM 345 N ALA A 27 -6.087 -2.277 -0.440 1.00 0.00 N ATOM 346 CA ALA A 27 -5.422 -3.176 -1.375 1.00 0.00 C ATOM 347 C ALA A 27 -6.359 -4.292 -1.824 1.00 0.00 C ATOM 348 O ALA A 27 -6.546 -5.282 -1.117 1.00 0.00 O ATOM 349 CB ALA A 27 -4.167 -3.761 -0.742 1.00 0.00 C ATOM 0 H ALA A 27 -6.367 -2.713 0.438 1.00 0.00 H new ATOM 0 HA ALA A 27 -5.138 -2.600 -2.255 1.00 0.00 H new ATOM 0 HB1 ALA A 27 -3.680 -4.431 -1.451 1.00 0.00 H new ATOM 0 HB2 ALA A 27 -3.484 -2.954 -0.476 1.00 0.00 H new ATOM 0 HB3 ALA A 27 -4.438 -4.317 0.155 1.00 0.00 H new ATOM 355 N VAL A 28 -6.946 -4.126 -3.005 1.00 0.00 N ATOM 356 CA VAL A 28 -7.864 -5.119 -3.549 1.00 0.00 C ATOM 357 C VAL A 28 -7.127 -6.126 -4.426 1.00 0.00 C ATOM 358 O VAL A 28 -6.266 -5.756 -5.224 1.00 0.00 O ATOM 359 CB VAL A 28 -8.983 -4.457 -4.375 1.00 0.00 C ATOM 360 CG1 VAL A 28 -10.003 -5.493 -4.820 1.00 0.00 C ATOM 361 CG2 VAL A 28 -9.650 -3.348 -3.576 1.00 0.00 C ATOM 0 H VAL A 28 -6.802 -3.313 -3.603 1.00 0.00 H new ATOM 0 HA VAL A 28 -8.309 -5.638 -2.700 1.00 0.00 H new ATOM 0 HB VAL A 28 -8.539 -4.014 -5.267 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -10.786 -5.006 -5.402 1.00 0.00 H new ATOM 0 HG12 VAL A 28 -9.511 -6.248 -5.433 1.00 0.00 H new ATOM 0 HG13 VAL A 28 -10.445 -5.968 -3.944 1.00 0.00 H new ATOM 0 HG21 VAL A 28 -10.438 -2.891 -4.175 1.00 0.00 H new ATOM 0 HG22 VAL A 28 -10.081 -3.764 -2.666 1.00 0.00 H new ATOM 0 HG23 VAL A 28 -8.909 -2.592 -3.314 1.00 0.00 H new ATOM 371 N ALA A 29 -7.473 -7.400 -4.274 1.00 0.00 N ATOM 372 CA ALA A 29 -6.846 -8.460 -5.054 1.00 0.00 C ATOM 373 C ALA A 29 -7.740 -8.892 -6.211 1.00 0.00 C ATOM 374 O ALA A 29 -8.816 -9.454 -6.001 1.00 0.00 O ATOM 375 CB ALA A 29 -6.522 -9.650 -4.162 1.00 0.00 C ATOM 0 H ALA A 29 -8.184 -7.723 -3.618 1.00 0.00 H new ATOM 0 HA ALA A 29 -5.918 -8.070 -5.472 1.00 0.00 H new ATOM 0 HB1 ALA A 29 -6.054 -10.434 -4.757 1.00 0.00 H new ATOM 0 HB2 ALA A 29 -5.839 -9.337 -3.372 1.00 0.00 H new ATOM 0 HB3 ALA A 29 -7.441 -10.032 -3.717 1.00 0.00 H new ATOM 381 N LEU A 30 -7.290 -8.625 -7.432 1.00 0.00 N ATOM 382 CA LEU A 30 -8.050 -8.986 -8.623 1.00 0.00 C ATOM 383 C LEU A 30 -7.903 -10.472 -8.934 1.00 0.00 C ATOM 384 O LEU A 30 -8.894 -11.185 -9.095 1.00 0.00 O ATOM 385 CB LEU A 30 -7.585 -8.154 -9.820 1.00 0.00 C ATOM 386 CG LEU A 30 -7.386 -6.660 -9.563 1.00 0.00 C ATOM 387 CD1 LEU A 30 -6.467 -6.055 -10.613 1.00 0.00 C ATOM 388 CD2 LEU A 30 -8.727 -5.940 -9.546 1.00 0.00 C ATOM 0 H LEU A 30 -6.403 -8.160 -7.623 1.00 0.00 H new ATOM 0 HA LEU A 30 -9.102 -8.777 -8.430 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -6.644 -8.568 -10.181 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -8.313 -8.270 -10.623 1.00 0.00 H new ATOM 0 HG LEU A 30 -6.917 -6.537 -8.587 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -6.337 -4.991 -10.414 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -5.497 -6.552 -10.578 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -6.907 -6.188 -11.601 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -8.567 -4.878 -9.362 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -9.223 -6.071 -10.508 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -9.353 -6.355 -8.756 1.00 0.00 H new ATOM 400 N THR A 31 -6.659 -10.934 -9.015 1.00 0.00 N ATOM 401 CA THR A 31 -6.382 -12.335 -9.304 1.00 0.00 C ATOM 402 C THR A 31 -5.121 -12.806 -8.589 1.00 0.00 C ATOM 403 O THR A 31 -4.441 -12.020 -7.927 1.00 0.00 O ATOM 404 CB THR A 31 -6.220 -12.575 -10.817 1.00 0.00 C ATOM 405 OG1 THR A 31 -6.442 -13.956 -11.122 1.00 0.00 O ATOM 406 CG2 THR A 31 -4.831 -12.164 -11.284 1.00 0.00 C ATOM 0 H THR A 31 -5.827 -10.358 -8.884 1.00 0.00 H new ATOM 0 HA THR A 31 -7.236 -12.907 -8.942 1.00 0.00 H new ATOM 0 HB THR A 31 -6.958 -11.966 -11.340 1.00 0.00 H new ATOM 0 HG1 THR A 31 -5.615 -14.460 -10.976 1.00 0.00 H new ATOM 0 HG21 THR A 31 -4.740 -12.342 -12.355 1.00 0.00 H new ATOM 0 HG22 THR A 31 -4.677 -11.105 -11.078 1.00 0.00 H new ATOM 0 HG23 THR A 31 -4.081 -12.750 -10.753 1.00 0.00 H new ATOM 414 N HIS A 32 -4.812 -14.091 -8.726 1.00 0.00 N ATOM 415 CA HIS A 32 -3.631 -14.666 -8.093 1.00 0.00 C ATOM 416 C HIS A 32 -2.395 -13.818 -8.378 1.00 0.00 C ATOM 417 O HIS A 32 -1.532 -13.651 -7.516 1.00 0.00 O ATOM 418 CB HIS A 32 -3.407 -16.096 -8.586 1.00 0.00 C ATOM 419 CG HIS A 32 -3.567 -16.251 -10.067 1.00 0.00 C ATOM 420 ND1 HIS A 32 -4.794 -16.247 -10.696 1.00 0.00 N ATOM 421 CD2 HIS A 32 -2.645 -16.413 -11.045 1.00 0.00 C ATOM 422 CE1 HIS A 32 -4.620 -16.402 -11.997 1.00 0.00 C ATOM 423 NE2 HIS A 32 -3.325 -16.505 -12.235 1.00 0.00 N ATOM 0 H HIS A 32 -5.364 -14.754 -9.270 1.00 0.00 H new ATOM 0 HA HIS A 32 -3.798 -14.683 -7.016 1.00 0.00 H new ATOM 0 HB2 HIS A 32 -2.405 -16.417 -8.302 1.00 0.00 H new ATOM 0 HB3 HIS A 32 -4.109 -16.760 -8.082 1.00 0.00 H new ATOM 0 HD2 HIS A 32 -1.574 -16.461 -10.914 1.00 0.00 H new ATOM 0 HE1 HIS A 32 -5.404 -16.438 -12.739 1.00 0.00 H new ATOM 0 HE2 HIS A 32 -2.899 -16.632 -13.153 1.00 0.00 H new ATOM 432 N ASP A 33 -2.316 -13.285 -9.592 1.00 0.00 N ATOM 433 CA ASP A 33 -1.187 -12.453 -9.991 1.00 0.00 C ATOM 434 C ASP A 33 -1.648 -11.043 -10.345 1.00 0.00 C ATOM 435 O ASP A 33 -1.191 -10.458 -11.326 1.00 0.00 O ATOM 436 CB ASP A 33 -0.460 -13.080 -11.182 1.00 0.00 C ATOM 437 CG ASP A 33 -1.279 -13.020 -12.457 1.00 0.00 C ATOM 438 OD1 ASP A 33 -2.224 -13.824 -12.592 1.00 0.00 O ATOM 439 OD2 ASP A 33 -0.974 -12.169 -13.319 1.00 0.00 O ATOM 0 H ASP A 33 -3.021 -13.414 -10.318 1.00 0.00 H new ATOM 0 HA ASP A 33 -0.499 -12.389 -9.148 1.00 0.00 H new ATOM 0 HB2 ASP A 33 0.488 -12.565 -11.338 1.00 0.00 H new ATOM 0 HB3 ASP A 33 -0.224 -14.119 -10.954 1.00 0.00 H new ATOM 444 N ALA A 34 -2.557 -10.504 -9.539 1.00 0.00 N ATOM 445 CA ALA A 34 -3.079 -9.162 -9.767 1.00 0.00 C ATOM 446 C ALA A 34 -3.614 -8.554 -8.475 1.00 0.00 C ATOM 447 O ALA A 34 -4.155 -9.259 -7.622 1.00 0.00 O ATOM 448 CB ALA A 34 -4.169 -9.193 -10.828 1.00 0.00 C ATOM 0 H ALA A 34 -2.947 -10.976 -8.723 1.00 0.00 H new ATOM 0 HA ALA A 34 -2.260 -8.536 -10.121 1.00 0.00 H new ATOM 0 HB1 ALA A 34 -4.550 -8.184 -10.988 1.00 0.00 H new ATOM 0 HB2 ALA A 34 -3.758 -9.578 -11.761 1.00 0.00 H new ATOM 0 HB3 ALA A 34 -4.982 -9.839 -10.496 1.00 0.00 H new ATOM 454 N VAL A 35 -3.459 -7.242 -8.334 1.00 0.00 N ATOM 455 CA VAL A 35 -3.926 -6.539 -7.146 1.00 0.00 C ATOM 456 C VAL A 35 -4.216 -5.074 -7.451 1.00 0.00 C ATOM 457 O VAL A 35 -3.310 -4.306 -7.777 1.00 0.00 O ATOM 458 CB VAL A 35 -2.895 -6.620 -6.004 1.00 0.00 C ATOM 459 CG1 VAL A 35 -3.119 -5.497 -5.002 1.00 0.00 C ATOM 460 CG2 VAL A 35 -2.964 -7.977 -5.320 1.00 0.00 C ATOM 0 H VAL A 35 -3.013 -6.644 -9.029 1.00 0.00 H new ATOM 0 HA VAL A 35 -4.847 -7.030 -6.830 1.00 0.00 H new ATOM 0 HB VAL A 35 -1.898 -6.503 -6.429 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -2.382 -5.570 -4.203 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -3.015 -4.535 -5.504 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -4.121 -5.580 -4.580 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -2.229 -8.017 -4.516 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -3.962 -8.126 -4.907 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -2.751 -8.762 -6.046 1.00 0.00 H new ATOM 470 N ARG A 36 -5.484 -4.692 -7.344 1.00 0.00 N ATOM 471 CA ARG A 36 -5.894 -3.318 -7.610 1.00 0.00 C ATOM 472 C ARG A 36 -5.872 -2.487 -6.331 1.00 0.00 C ATOM 473 O ARG A 36 -6.792 -2.559 -5.515 1.00 0.00 O ATOM 474 CB ARG A 36 -7.295 -3.291 -8.225 1.00 0.00 C ATOM 475 CG ARG A 36 -7.927 -1.909 -8.239 1.00 0.00 C ATOM 476 CD ARG A 36 -7.307 -1.024 -9.309 1.00 0.00 C ATOM 477 NE ARG A 36 -7.783 -1.367 -10.647 1.00 0.00 N ATOM 478 CZ ARG A 36 -7.710 -0.544 -11.686 1.00 0.00 C ATOM 479 NH1 ARG A 36 -7.183 0.665 -11.544 1.00 0.00 N ATOM 480 NH2 ARG A 36 -8.165 -0.928 -12.872 1.00 0.00 N ATOM 0 H ARG A 36 -6.246 -5.315 -7.075 1.00 0.00 H new ATOM 0 HA ARG A 36 -5.186 -2.884 -8.317 1.00 0.00 H new ATOM 0 HB2 ARG A 36 -7.241 -3.667 -9.247 1.00 0.00 H new ATOM 0 HB3 ARG A 36 -7.940 -3.971 -7.668 1.00 0.00 H new ATOM 0 HG2 ARG A 36 -8.999 -2.000 -8.416 1.00 0.00 H new ATOM 0 HG3 ARG A 36 -7.804 -1.441 -7.262 1.00 0.00 H new ATOM 0 HD2 ARG A 36 -7.542 0.019 -9.097 1.00 0.00 H new ATOM 0 HD3 ARG A 36 -6.222 -1.120 -9.275 1.00 0.00 H new ATOM 0 HE ARG A 36 -8.194 -2.289 -10.791 1.00 0.00 H new ATOM 0 HH11 ARG A 36 -6.832 0.965 -10.634 1.00 0.00 H new ATOM 0 HH12 ARG A 36 -7.128 1.295 -12.344 1.00 0.00 H new ATOM 0 HH21 ARG A 36 -8.571 -1.857 -12.986 1.00 0.00 H new ATOM 0 HH22 ARG A 36 -8.108 -0.295 -13.669 1.00 0.00 H new ATOM 494 N VAL A 37 -4.815 -1.699 -6.161 1.00 0.00 N ATOM 495 CA VAL A 37 -4.673 -0.854 -4.981 1.00 0.00 C ATOM 496 C VAL A 37 -5.350 0.496 -5.188 1.00 0.00 C ATOM 497 O VAL A 37 -4.908 1.305 -6.003 1.00 0.00 O ATOM 498 CB VAL A 37 -3.191 -0.624 -4.631 1.00 0.00 C ATOM 499 CG1 VAL A 37 -3.064 0.289 -3.421 1.00 0.00 C ATOM 500 CG2 VAL A 37 -2.491 -1.952 -4.382 1.00 0.00 C ATOM 0 H VAL A 37 -4.044 -1.628 -6.826 1.00 0.00 H new ATOM 0 HA VAL A 37 -5.157 -1.377 -4.156 1.00 0.00 H new ATOM 0 HB VAL A 37 -2.707 -0.136 -5.477 1.00 0.00 H new ATOM 0 HG11 VAL A 37 -2.010 0.440 -3.188 1.00 0.00 H new ATOM 0 HG12 VAL A 37 -3.529 1.250 -3.640 1.00 0.00 H new ATOM 0 HG13 VAL A 37 -3.562 -0.168 -2.566 1.00 0.00 H new ATOM 0 HG21 VAL A 37 -1.445 -1.771 -4.136 1.00 0.00 H new ATOM 0 HG22 VAL A 37 -2.975 -2.468 -3.553 1.00 0.00 H new ATOM 0 HG23 VAL A 37 -2.552 -2.569 -5.279 1.00 0.00 H new ATOM 510 N SER A 38 -6.426 0.732 -4.444 1.00 0.00 N ATOM 511 CA SER A 38 -7.167 1.984 -4.547 1.00 0.00 C ATOM 512 C SER A 38 -7.170 2.725 -3.214 1.00 0.00 C ATOM 513 O SER A 38 -7.433 2.137 -2.165 1.00 0.00 O ATOM 514 CB SER A 38 -8.604 1.714 -4.997 1.00 0.00 C ATOM 515 OG SER A 38 -9.383 1.195 -3.933 1.00 0.00 O ATOM 0 H SER A 38 -6.804 0.073 -3.764 1.00 0.00 H new ATOM 0 HA SER A 38 -6.673 2.611 -5.289 1.00 0.00 H new ATOM 0 HB2 SER A 38 -9.053 2.637 -5.364 1.00 0.00 H new ATOM 0 HB3 SER A 38 -8.602 1.008 -5.828 1.00 0.00 H new ATOM 0 HG SER A 38 -10.297 1.033 -4.246 1.00 0.00 H new ATOM 521 N TRP A 39 -6.877 4.019 -3.264 1.00 0.00 N ATOM 522 CA TRP A 39 -6.845 4.843 -2.060 1.00 0.00 C ATOM 523 C TRP A 39 -7.658 6.119 -2.252 1.00 0.00 C ATOM 524 O TRP A 39 -8.270 6.324 -3.300 1.00 0.00 O ATOM 525 CB TRP A 39 -5.402 5.193 -1.694 1.00 0.00 C ATOM 526 CG TRP A 39 -4.654 5.864 -2.806 1.00 0.00 C ATOM 527 CD1 TRP A 39 -4.448 7.205 -2.963 1.00 0.00 C ATOM 528 CD2 TRP A 39 -4.014 5.225 -3.916 1.00 0.00 C ATOM 529 NE1 TRP A 39 -3.718 7.438 -4.104 1.00 0.00 N ATOM 530 CE2 TRP A 39 -3.439 6.240 -4.706 1.00 0.00 C ATOM 531 CE3 TRP A 39 -3.869 3.895 -4.319 1.00 0.00 C ATOM 532 CZ2 TRP A 39 -2.733 5.964 -5.874 1.00 0.00 C ATOM 533 CZ3 TRP A 39 -3.168 3.622 -5.478 1.00 0.00 C ATOM 534 CH2 TRP A 39 -2.606 4.653 -6.244 1.00 0.00 C ATOM 0 H TRP A 39 -6.658 4.521 -4.125 1.00 0.00 H new ATOM 0 HA TRP A 39 -7.289 4.270 -1.246 1.00 0.00 H new ATOM 0 HB2 TRP A 39 -5.404 5.846 -0.821 1.00 0.00 H new ATOM 0 HB3 TRP A 39 -4.876 4.282 -1.409 1.00 0.00 H new ATOM 0 HD1 TRP A 39 -4.806 7.970 -2.290 1.00 0.00 H new ATOM 0 HE1 TRP A 39 -3.431 8.355 -4.447 1.00 0.00 H new ATOM 0 HE3 TRP A 39 -4.297 3.094 -3.735 1.00 0.00 H new ATOM 0 HZ2 TRP A 39 -2.301 6.757 -6.467 1.00 0.00 H new ATOM 0 HZ3 TRP A 39 -3.051 2.597 -5.799 1.00 0.00 H new ATOM 0 HH2 TRP A 39 -2.062 4.407 -7.144 1.00 0.00 H new ATOM 545 N ALA A 40 -7.659 6.973 -1.234 1.00 0.00 N ATOM 546 CA ALA A 40 -8.395 8.230 -1.292 1.00 0.00 C ATOM 547 C ALA A 40 -7.510 9.403 -0.885 1.00 0.00 C ATOM 548 O ALA A 40 -6.689 9.288 0.025 1.00 0.00 O ATOM 549 CB ALA A 40 -9.627 8.162 -0.402 1.00 0.00 C ATOM 0 H ALA A 40 -7.158 6.817 -0.359 1.00 0.00 H new ATOM 0 HA ALA A 40 -8.713 8.389 -2.322 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -10.167 9.107 -0.455 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -10.276 7.354 -0.740 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -9.322 7.976 0.628 1.00 0.00 H new ATOM 555 N ASP A 41 -7.683 10.531 -1.565 1.00 0.00 N ATOM 556 CA ASP A 41 -6.900 11.727 -1.274 1.00 0.00 C ATOM 557 C ASP A 41 -7.737 12.755 -0.520 1.00 0.00 C ATOM 558 O ASP A 41 -8.642 13.367 -1.085 1.00 0.00 O ATOM 559 CB ASP A 41 -6.363 12.339 -2.569 1.00 0.00 C ATOM 560 CG ASP A 41 -7.418 12.412 -3.655 1.00 0.00 C ATOM 561 OD1 ASP A 41 -8.561 11.978 -3.402 1.00 0.00 O ATOM 562 OD2 ASP A 41 -7.101 12.903 -4.759 1.00 0.00 O ATOM 0 H ASP A 41 -8.358 10.643 -2.321 1.00 0.00 H new ATOM 0 HA ASP A 41 -6.060 11.436 -0.643 1.00 0.00 H new ATOM 0 HB2 ASP A 41 -5.986 13.341 -2.365 1.00 0.00 H new ATOM 0 HB3 ASP A 41 -5.520 11.747 -2.925 1.00 0.00 H new ATOM 753 N ARG A 54 1.400 17.077 -9.444 1.00 0.00 N ATOM 754 CA ARG A 54 1.982 16.151 -8.480 1.00 0.00 C ATOM 755 C ARG A 54 2.134 14.759 -9.087 1.00 0.00 C ATOM 756 O ARG A 54 1.795 14.537 -10.250 1.00 0.00 O ATOM 757 CB ARG A 54 1.114 16.078 -7.222 1.00 0.00 C ATOM 758 CG ARG A 54 -0.378 16.084 -7.511 1.00 0.00 C ATOM 759 CD ARG A 54 -0.859 14.722 -7.986 1.00 0.00 C ATOM 760 NE ARG A 54 -2.315 14.659 -8.086 1.00 0.00 N ATOM 761 CZ ARG A 54 -2.997 15.082 -9.145 1.00 0.00 C ATOM 762 NH1 ARG A 54 -2.359 15.594 -10.188 1.00 0.00 N ATOM 763 NH2 ARG A 54 -4.321 14.992 -9.162 1.00 0.00 N ATOM 0 HA ARG A 54 2.971 16.521 -8.210 1.00 0.00 H new ATOM 0 HB2 ARG A 54 1.365 15.172 -6.670 1.00 0.00 H new ATOM 0 HB3 ARG A 54 1.354 16.922 -6.576 1.00 0.00 H new ATOM 0 HG2 ARG A 54 -0.923 16.370 -6.611 1.00 0.00 H new ATOM 0 HG3 ARG A 54 -0.600 16.834 -8.270 1.00 0.00 H new ATOM 0 HD2 ARG A 54 -0.419 14.501 -8.959 1.00 0.00 H new ATOM 0 HD3 ARG A 54 -0.510 13.954 -7.296 1.00 0.00 H new ATOM 0 HE ARG A 54 -2.836 14.269 -7.301 1.00 0.00 H new ATOM 0 HH11 ARG A 54 -1.341 15.664 -10.179 1.00 0.00 H new ATOM 0 HH12 ARG A 54 -2.886 15.918 -10.999 1.00 0.00 H new ATOM 0 HH21 ARG A 54 -4.816 14.598 -8.362 1.00 0.00 H new ATOM 0 HH22 ARG A 54 -4.844 15.317 -9.975 1.00 0.00 H new ATOM 777 N LEU A 55 2.648 13.826 -8.293 1.00 0.00 N ATOM 778 CA LEU A 55 2.846 12.456 -8.751 1.00 0.00 C ATOM 779 C LEU A 55 2.672 11.467 -7.603 1.00 0.00 C ATOM 780 O LEU A 55 3.200 11.670 -6.510 1.00 0.00 O ATOM 781 CB LEU A 55 4.237 12.299 -9.367 1.00 0.00 C ATOM 782 CG LEU A 55 4.690 10.866 -9.647 1.00 0.00 C ATOM 783 CD1 LEU A 55 4.333 10.460 -11.068 1.00 0.00 C ATOM 784 CD2 LEU A 55 6.187 10.724 -9.410 1.00 0.00 C ATOM 0 H LEU A 55 2.935 13.994 -7.329 1.00 0.00 H new ATOM 0 HA LEU A 55 2.093 12.241 -9.509 1.00 0.00 H new ATOM 0 HB2 LEU A 55 4.263 12.856 -10.303 1.00 0.00 H new ATOM 0 HB3 LEU A 55 4.962 12.764 -8.700 1.00 0.00 H new ATOM 0 HG LEU A 55 4.168 10.200 -8.960 1.00 0.00 H new ATOM 0 HD11 LEU A 55 4.664 9.437 -11.248 1.00 0.00 H new ATOM 0 HD12 LEU A 55 3.253 10.522 -11.204 1.00 0.00 H new ATOM 0 HD13 LEU A 55 4.826 11.130 -11.773 1.00 0.00 H new ATOM 0 HD21 LEU A 55 6.492 9.698 -9.614 1.00 0.00 H new ATOM 0 HD22 LEU A 55 6.726 11.401 -10.072 1.00 0.00 H new ATOM 0 HD23 LEU A 55 6.416 10.971 -8.374 1.00 0.00 H new ATOM 796 N TYR A 56 1.929 10.395 -7.860 1.00 0.00 N ATOM 797 CA TYR A 56 1.685 9.375 -6.848 1.00 0.00 C ATOM 798 C TYR A 56 2.516 8.125 -7.123 1.00 0.00 C ATOM 799 O TYR A 56 2.465 7.558 -8.215 1.00 0.00 O ATOM 800 CB TYR A 56 0.200 9.014 -6.805 1.00 0.00 C ATOM 801 CG TYR A 56 -0.631 9.964 -5.972 1.00 0.00 C ATOM 802 CD1 TYR A 56 -0.535 11.339 -6.149 1.00 0.00 C ATOM 803 CD2 TYR A 56 -1.510 9.487 -5.008 1.00 0.00 C ATOM 804 CE1 TYR A 56 -1.291 12.211 -5.390 1.00 0.00 C ATOM 805 CE2 TYR A 56 -2.271 10.352 -4.245 1.00 0.00 C ATOM 806 CZ TYR A 56 -2.158 11.713 -4.440 1.00 0.00 C ATOM 807 OH TYR A 56 -2.913 12.577 -3.681 1.00 0.00 O ATOM 0 H TYR A 56 1.486 10.211 -8.760 1.00 0.00 H new ATOM 0 HA TYR A 56 1.981 9.781 -5.881 1.00 0.00 H new ATOM 0 HB2 TYR A 56 -0.191 8.999 -7.822 1.00 0.00 H new ATOM 0 HB3 TYR A 56 0.091 8.005 -6.407 1.00 0.00 H new ATOM 0 HD1 TYR A 56 0.142 11.732 -6.893 1.00 0.00 H new ATOM 0 HD2 TYR A 56 -1.600 8.422 -4.852 1.00 0.00 H new ATOM 0 HE1 TYR A 56 -1.204 13.277 -5.540 1.00 0.00 H new ATOM 0 HE2 TYR A 56 -2.950 9.965 -3.500 1.00 0.00 H new ATOM 0 HH TYR A 56 -3.101 13.388 -4.198 1.00 0.00 H new ATOM 817 N THR A 57 3.282 7.699 -6.123 1.00 0.00 N ATOM 818 CA THR A 57 4.124 6.517 -6.256 1.00 0.00 C ATOM 819 C THR A 57 3.522 5.326 -5.519 1.00 0.00 C ATOM 820 O THR A 57 2.876 5.487 -4.483 1.00 0.00 O ATOM 821 CB THR A 57 5.544 6.776 -5.716 1.00 0.00 C ATOM 822 OG1 THR A 57 6.115 7.916 -6.367 1.00 0.00 O ATOM 823 CG2 THR A 57 6.435 5.562 -5.932 1.00 0.00 C ATOM 0 H THR A 57 3.336 8.155 -5.212 1.00 0.00 H new ATOM 0 HA THR A 57 4.183 6.289 -7.320 1.00 0.00 H new ATOM 0 HB THR A 57 5.473 6.968 -4.645 1.00 0.00 H new ATOM 0 HG1 THR A 57 7.017 8.075 -6.017 1.00 0.00 H new ATOM 0 HG21 THR A 57 7.432 5.769 -5.543 1.00 0.00 H new ATOM 0 HG22 THR A 57 6.013 4.703 -5.410 1.00 0.00 H new ATOM 0 HG23 THR A 57 6.500 5.343 -6.998 1.00 0.00 H new ATOM 831 N VAL A 58 3.737 4.131 -6.059 1.00 0.00 N ATOM 832 CA VAL A 58 3.216 2.913 -5.452 1.00 0.00 C ATOM 833 C VAL A 58 4.297 1.842 -5.353 1.00 0.00 C ATOM 834 O VAL A 58 4.882 1.441 -6.360 1.00 0.00 O ATOM 835 CB VAL A 58 2.025 2.351 -6.251 1.00 0.00 C ATOM 836 CG1 VAL A 58 1.382 1.191 -5.507 1.00 0.00 C ATOM 837 CG2 VAL A 58 1.007 3.447 -6.528 1.00 0.00 C ATOM 0 H VAL A 58 4.269 3.981 -6.916 1.00 0.00 H new ATOM 0 HA VAL A 58 2.879 3.179 -4.450 1.00 0.00 H new ATOM 0 HB VAL A 58 2.394 1.978 -7.206 1.00 0.00 H new ATOM 0 HG11 VAL A 58 0.543 0.807 -6.087 1.00 0.00 H new ATOM 0 HG12 VAL A 58 2.117 0.399 -5.364 1.00 0.00 H new ATOM 0 HG13 VAL A 58 1.025 1.535 -4.536 1.00 0.00 H new ATOM 0 HG21 VAL A 58 0.172 3.033 -7.093 1.00 0.00 H new ATOM 0 HG22 VAL A 58 0.641 3.851 -5.584 1.00 0.00 H new ATOM 0 HG23 VAL A 58 1.477 4.243 -7.105 1.00 0.00 H new ATOM 847 N ARG A 59 4.558 1.383 -4.133 1.00 0.00 N ATOM 848 CA ARG A 59 5.570 0.359 -3.903 1.00 0.00 C ATOM 849 C ARG A 59 4.961 -0.863 -3.220 1.00 0.00 C ATOM 850 O ARG A 59 3.979 -0.751 -2.486 1.00 0.00 O ATOM 851 CB ARG A 59 6.708 0.920 -3.049 1.00 0.00 C ATOM 852 CG ARG A 59 6.382 0.985 -1.566 1.00 0.00 C ATOM 853 CD ARG A 59 7.524 1.598 -0.770 1.00 0.00 C ATOM 854 NE ARG A 59 7.092 2.047 0.550 1.00 0.00 N ATOM 855 CZ ARG A 59 6.742 1.221 1.529 1.00 0.00 C ATOM 856 NH1 ARG A 59 6.773 -0.091 1.337 1.00 0.00 N ATOM 857 NH2 ARG A 59 6.360 1.705 2.704 1.00 0.00 N ATOM 0 H ARG A 59 4.083 1.704 -3.289 1.00 0.00 H new ATOM 0 HA ARG A 59 5.968 0.052 -4.870 1.00 0.00 H new ATOM 0 HB2 ARG A 59 7.595 0.303 -3.191 1.00 0.00 H new ATOM 0 HB3 ARG A 59 6.956 1.921 -3.402 1.00 0.00 H new ATOM 0 HG2 ARG A 59 5.477 1.573 -1.417 1.00 0.00 H new ATOM 0 HG3 ARG A 59 6.175 -0.018 -1.194 1.00 0.00 H new ATOM 0 HD2 ARG A 59 8.323 0.865 -0.660 1.00 0.00 H new ATOM 0 HD3 ARG A 59 7.939 2.441 -1.322 1.00 0.00 H new ATOM 0 HE ARG A 59 7.057 3.050 0.730 1.00 0.00 H new ATOM 0 HH11 ARG A 59 7.066 -0.468 0.436 1.00 0.00 H new ATOM 0 HH12 ARG A 59 6.504 -0.723 2.091 1.00 0.00 H new ATOM 0 HH21 ARG A 59 6.335 2.713 2.856 1.00 0.00 H new ATOM 0 HH22 ARG A 59 6.092 1.069 3.455 1.00 0.00 H new ATOM 871 N TRP A 60 5.551 -2.027 -3.466 1.00 0.00 N ATOM 872 CA TRP A 60 5.067 -3.269 -2.876 1.00 0.00 C ATOM 873 C TRP A 60 6.146 -4.345 -2.911 1.00 0.00 C ATOM 874 O TRP A 60 6.946 -4.405 -3.844 1.00 0.00 O ATOM 875 CB TRP A 60 3.819 -3.756 -3.614 1.00 0.00 C ATOM 876 CG TRP A 60 4.086 -4.152 -5.035 1.00 0.00 C ATOM 877 CD1 TRP A 60 4.423 -5.395 -5.490 1.00 0.00 C ATOM 878 CD2 TRP A 60 4.040 -3.300 -6.184 1.00 0.00 C ATOM 879 NE1 TRP A 60 4.589 -5.366 -6.854 1.00 0.00 N ATOM 880 CE2 TRP A 60 4.359 -4.093 -7.304 1.00 0.00 C ATOM 881 CE3 TRP A 60 3.758 -1.945 -6.378 1.00 0.00 C ATOM 882 CZ2 TRP A 60 4.405 -3.575 -8.595 1.00 0.00 C ATOM 883 CZ3 TRP A 60 3.804 -1.432 -7.660 1.00 0.00 C ATOM 884 CH2 TRP A 60 4.124 -2.245 -8.755 1.00 0.00 C ATOM 0 H TRP A 60 6.365 -2.136 -4.070 1.00 0.00 H new ATOM 0 HA TRP A 60 4.811 -3.072 -1.835 1.00 0.00 H new ATOM 0 HB2 TRP A 60 3.399 -4.608 -3.080 1.00 0.00 H new ATOM 0 HB3 TRP A 60 3.066 -2.968 -3.599 1.00 0.00 H new ATOM 0 HD1 TRP A 60 4.541 -6.271 -4.870 1.00 0.00 H new ATOM 0 HE1 TRP A 60 4.843 -6.164 -7.437 1.00 0.00 H new ATOM 0 HE3 TRP A 60 3.509 -1.310 -5.541 1.00 0.00 H new ATOM 0 HZ2 TRP A 60 4.653 -4.200 -9.440 1.00 0.00 H new ATOM 0 HZ3 TRP A 60 3.589 -0.386 -7.821 1.00 0.00 H new ATOM 0 HH2 TRP A 60 4.149 -1.814 -9.745 1.00 0.00 H new ATOM 895 N ARG A 61 6.162 -5.195 -1.888 1.00 0.00 N ATOM 896 CA ARG A 61 7.145 -6.269 -1.803 1.00 0.00 C ATOM 897 C ARG A 61 6.710 -7.323 -0.789 1.00 0.00 C ATOM 898 O ARG A 61 5.955 -7.034 0.140 1.00 0.00 O ATOM 899 CB ARG A 61 8.514 -5.706 -1.415 1.00 0.00 C ATOM 900 CG ARG A 61 8.620 -5.319 0.051 1.00 0.00 C ATOM 901 CD ARG A 61 9.136 -6.473 0.896 1.00 0.00 C ATOM 902 NE ARG A 61 8.624 -6.421 2.263 1.00 0.00 N ATOM 903 CZ ARG A 61 9.237 -6.984 3.299 1.00 0.00 C ATOM 904 NH1 ARG A 61 10.378 -7.636 3.124 1.00 0.00 N ATOM 905 NH2 ARG A 61 8.709 -6.894 4.513 1.00 0.00 N ATOM 0 H ARG A 61 5.506 -5.160 -1.108 1.00 0.00 H new ATOM 0 HA ARG A 61 7.218 -6.740 -2.783 1.00 0.00 H new ATOM 0 HB2 ARG A 61 9.280 -6.447 -1.643 1.00 0.00 H new ATOM 0 HB3 ARG A 61 8.725 -4.831 -2.029 1.00 0.00 H new ATOM 0 HG2 ARG A 61 9.287 -4.464 0.155 1.00 0.00 H new ATOM 0 HG3 ARG A 61 7.642 -5.007 0.418 1.00 0.00 H new ATOM 0 HD2 ARG A 61 8.846 -7.418 0.436 1.00 0.00 H new ATOM 0 HD3 ARG A 61 10.226 -6.449 0.916 1.00 0.00 H new ATOM 0 HE ARG A 61 7.748 -5.926 2.432 1.00 0.00 H new ATOM 0 HH11 ARG A 61 10.787 -7.706 2.192 1.00 0.00 H new ATOM 0 HH12 ARG A 61 10.846 -8.067 3.921 1.00 0.00 H new ATOM 0 HH21 ARG A 61 7.832 -6.392 4.652 1.00 0.00 H new ATOM 0 HH22 ARG A 61 9.180 -7.327 5.307 1.00 0.00 H new ATOM 919 N THR A 62 7.192 -8.548 -0.974 1.00 0.00 N ATOM 920 CA THR A 62 6.852 -9.646 -0.078 1.00 0.00 C ATOM 921 C THR A 62 6.834 -9.185 1.375 1.00 0.00 C ATOM 922 O THR A 62 7.842 -8.709 1.898 1.00 0.00 O ATOM 923 CB THR A 62 7.845 -10.815 -0.221 1.00 0.00 C ATOM 924 OG1 THR A 62 9.189 -10.320 -0.221 1.00 0.00 O ATOM 925 CG2 THR A 62 7.585 -11.592 -1.502 1.00 0.00 C ATOM 0 H THR A 62 7.819 -8.805 -1.736 1.00 0.00 H new ATOM 0 HA THR A 62 5.856 -9.987 -0.360 1.00 0.00 H new ATOM 0 HB THR A 62 7.706 -11.486 0.627 1.00 0.00 H new ATOM 0 HG1 THR A 62 9.286 -9.637 0.475 1.00 0.00 H new ATOM 0 HG21 THR A 62 8.298 -12.412 -1.581 1.00 0.00 H new ATOM 0 HG22 THR A 62 6.572 -11.993 -1.485 1.00 0.00 H new ATOM 0 HG23 THR A 62 7.699 -10.929 -2.359 1.00 0.00 H new ATOM 933 N SER A 63 5.682 -9.329 2.023 1.00 0.00 N ATOM 934 CA SER A 63 5.532 -8.923 3.415 1.00 0.00 C ATOM 935 C SER A 63 6.092 -9.988 4.354 1.00 0.00 C ATOM 936 O SER A 63 5.569 -11.099 4.434 1.00 0.00 O ATOM 937 CB SER A 63 4.059 -8.667 3.738 1.00 0.00 C ATOM 938 OG SER A 63 3.894 -8.276 5.090 1.00 0.00 O ATOM 0 H SER A 63 4.839 -9.724 1.606 1.00 0.00 H new ATOM 0 HA SER A 63 6.094 -8.001 3.562 1.00 0.00 H new ATOM 0 HB2 SER A 63 3.669 -7.889 3.081 1.00 0.00 H new ATOM 0 HB3 SER A 63 3.479 -9.569 3.544 1.00 0.00 H new ATOM 0 HG SER A 63 3.283 -7.512 5.137 1.00 0.00 H new ATOM 1028 N TYR A 70 12.274 -3.893 -2.889 1.00 0.00 N ATOM 1029 CA TYR A 70 11.044 -3.110 -2.919 1.00 0.00 C ATOM 1030 C TYR A 70 10.782 -2.559 -4.317 1.00 0.00 C ATOM 1031 O TYR A 70 11.614 -1.852 -4.885 1.00 0.00 O ATOM 1032 CB TYR A 70 11.121 -1.961 -1.912 1.00 0.00 C ATOM 1033 CG TYR A 70 10.577 -2.315 -0.546 1.00 0.00 C ATOM 1034 CD1 TYR A 70 11.389 -2.902 0.416 1.00 0.00 C ATOM 1035 CD2 TYR A 70 9.251 -2.062 -0.218 1.00 0.00 C ATOM 1036 CE1 TYR A 70 10.896 -3.227 1.665 1.00 0.00 C ATOM 1037 CE2 TYR A 70 8.750 -2.383 1.028 1.00 0.00 C ATOM 1038 CZ TYR A 70 9.576 -2.966 1.966 1.00 0.00 C ATOM 1039 OH TYR A 70 9.082 -3.287 3.210 1.00 0.00 O ATOM 0 HA TYR A 70 10.219 -3.768 -2.647 1.00 0.00 H new ATOM 0 HB2 TYR A 70 12.160 -1.648 -1.810 1.00 0.00 H new ATOM 0 HB3 TYR A 70 10.568 -1.108 -2.304 1.00 0.00 H new ATOM 0 HD1 TYR A 70 12.423 -3.108 0.184 1.00 0.00 H new ATOM 0 HD2 TYR A 70 8.601 -1.606 -0.950 1.00 0.00 H new ATOM 0 HE1 TYR A 70 11.541 -3.683 2.402 1.00 0.00 H new ATOM 0 HE2 TYR A 70 7.717 -2.179 1.267 1.00 0.00 H new ATOM 0 HH TYR A 70 8.136 -3.038 3.260 1.00 0.00 H new ATOM 1049 N LYS A 71 9.619 -2.889 -4.868 1.00 0.00 N ATOM 1050 CA LYS A 71 9.243 -2.428 -6.199 1.00 0.00 C ATOM 1051 C LYS A 71 8.698 -1.004 -6.147 1.00 0.00 C ATOM 1052 O LYS A 71 8.251 -0.538 -5.099 1.00 0.00 O ATOM 1053 CB LYS A 71 8.198 -3.364 -6.810 1.00 0.00 C ATOM 1054 CG LYS A 71 8.252 -3.428 -8.326 1.00 0.00 C ATOM 1055 CD LYS A 71 7.407 -4.570 -8.866 1.00 0.00 C ATOM 1056 CE LYS A 71 8.092 -5.913 -8.667 1.00 0.00 C ATOM 1057 NZ LYS A 71 9.312 -6.045 -9.512 1.00 0.00 N ATOM 0 H LYS A 71 8.919 -3.475 -4.412 1.00 0.00 H new ATOM 0 HA LYS A 71 10.136 -2.434 -6.824 1.00 0.00 H new ATOM 0 HB2 LYS A 71 8.341 -4.367 -6.407 1.00 0.00 H new ATOM 0 HB3 LYS A 71 7.205 -3.036 -6.504 1.00 0.00 H new ATOM 0 HG2 LYS A 71 7.900 -2.485 -8.744 1.00 0.00 H new ATOM 0 HG3 LYS A 71 9.285 -3.554 -8.649 1.00 0.00 H new ATOM 0 HD2 LYS A 71 6.439 -4.576 -8.365 1.00 0.00 H new ATOM 0 HD3 LYS A 71 7.215 -4.412 -9.927 1.00 0.00 H new ATOM 0 HE2 LYS A 71 8.363 -6.031 -7.618 1.00 0.00 H new ATOM 0 HE3 LYS A 71 7.395 -6.715 -8.908 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 9.585 -7.047 -9.574 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 9.115 -5.680 -10.466 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 10.089 -5.500 -9.087 1.00 0.00 H new ATOM 1071 N SER A 72 8.735 -0.319 -7.286 1.00 0.00 N ATOM 1072 CA SER A 72 8.247 1.052 -7.369 1.00 0.00 C ATOM 1073 C SER A 72 7.700 1.350 -8.762 1.00 0.00 C ATOM 1074 O SER A 72 8.335 1.039 -9.769 1.00 0.00 O ATOM 1075 CB SER A 72 9.367 2.037 -7.027 1.00 0.00 C ATOM 1076 OG SER A 72 10.468 1.882 -7.905 1.00 0.00 O ATOM 0 H SER A 72 9.098 -0.691 -8.164 1.00 0.00 H new ATOM 0 HA SER A 72 7.439 1.168 -6.647 1.00 0.00 H new ATOM 0 HB2 SER A 72 8.989 3.058 -7.089 1.00 0.00 H new ATOM 0 HB3 SER A 72 9.693 1.879 -5.999 1.00 0.00 H new ATOM 0 HG SER A 72 11.169 2.524 -7.667 1.00 0.00 H new ATOM 1082 N GLU A 73 6.518 1.956 -8.810 1.00 0.00 N ATOM 1083 CA GLU A 73 5.885 2.296 -10.079 1.00 0.00 C ATOM 1084 C GLU A 73 5.178 3.645 -9.990 1.00 0.00 C ATOM 1085 O GLU A 73 4.486 3.932 -9.013 1.00 0.00 O ATOM 1086 CB GLU A 73 4.886 1.209 -10.483 1.00 0.00 C ATOM 1087 CG GLU A 73 4.716 1.066 -11.986 1.00 0.00 C ATOM 1088 CD GLU A 73 6.036 1.126 -12.730 1.00 0.00 C ATOM 1089 OE1 GLU A 73 6.469 2.243 -13.082 1.00 0.00 O ATOM 1090 OE2 GLU A 73 6.637 0.055 -12.961 1.00 0.00 O ATOM 0 H GLU A 73 5.980 2.222 -7.985 1.00 0.00 H new ATOM 0 HA GLU A 73 6.664 2.364 -10.838 1.00 0.00 H new ATOM 0 HB2 GLU A 73 5.214 0.255 -10.071 1.00 0.00 H new ATOM 0 HB3 GLU A 73 3.917 1.433 -10.036 1.00 0.00 H new ATOM 0 HG2 GLU A 73 4.223 0.119 -12.204 1.00 0.00 H new ATOM 0 HG3 GLU A 73 4.061 1.857 -12.351 1.00 0.00 H new ATOM 1097 N ASP A 74 5.357 4.469 -11.017 1.00 0.00 N ATOM 1098 CA ASP A 74 4.736 5.788 -11.057 1.00 0.00 C ATOM 1099 C ASP A 74 3.343 5.715 -11.675 1.00 0.00 C ATOM 1100 O ASP A 74 3.113 4.968 -12.627 1.00 0.00 O ATOM 1101 CB ASP A 74 5.609 6.762 -11.849 1.00 0.00 C ATOM 1102 CG ASP A 74 5.330 6.708 -13.339 1.00 0.00 C ATOM 1103 OD1 ASP A 74 5.727 5.714 -13.981 1.00 0.00 O ATOM 1104 OD2 ASP A 74 4.715 7.661 -13.861 1.00 0.00 O ATOM 0 H ASP A 74 5.927 4.247 -11.833 1.00 0.00 H new ATOM 0 HA ASP A 74 4.640 6.149 -10.033 1.00 0.00 H new ATOM 0 HB2 ASP A 74 5.438 7.776 -11.487 1.00 0.00 H new ATOM 0 HB3 ASP A 74 6.659 6.532 -11.670 1.00 0.00 H new ATOM 1109 N THR A 75 2.416 6.494 -11.126 1.00 0.00 N ATOM 1110 CA THR A 75 1.046 6.516 -11.621 1.00 0.00 C ATOM 1111 C THR A 75 0.363 7.838 -11.290 1.00 0.00 C ATOM 1112 O THR A 75 0.445 8.326 -10.163 1.00 0.00 O ATOM 1113 CB THR A 75 0.216 5.361 -11.030 1.00 0.00 C ATOM 1114 OG1 THR A 75 -1.050 5.277 -11.693 1.00 0.00 O ATOM 1115 CG2 THR A 75 0.000 5.558 -9.537 1.00 0.00 C ATOM 0 H THR A 75 2.590 7.118 -10.338 1.00 0.00 H new ATOM 0 HA THR A 75 1.100 6.398 -12.703 1.00 0.00 H new ATOM 0 HB THR A 75 0.767 4.433 -11.182 1.00 0.00 H new ATOM 0 HG1 THR A 75 -1.570 4.539 -11.312 1.00 0.00 H new ATOM 0 HG21 THR A 75 -0.589 4.730 -9.142 1.00 0.00 H new ATOM 0 HG22 THR A 75 0.965 5.591 -9.031 1.00 0.00 H new ATOM 0 HG23 THR A 75 -0.531 6.494 -9.367 1.00 0.00 H new ATOM 1123 N THR A 76 -0.312 8.414 -12.280 1.00 0.00 N ATOM 1124 CA THR A 76 -1.009 9.680 -12.094 1.00 0.00 C ATOM 1125 C THR A 76 -2.486 9.456 -11.791 1.00 0.00 C ATOM 1126 O THR A 76 -3.342 10.229 -12.220 1.00 0.00 O ATOM 1127 CB THR A 76 -0.884 10.579 -13.339 1.00 0.00 C ATOM 1128 OG1 THR A 76 -1.341 9.875 -14.499 1.00 0.00 O ATOM 1129 CG2 THR A 76 0.557 11.022 -13.544 1.00 0.00 C ATOM 0 H THR A 76 -0.391 8.023 -13.219 1.00 0.00 H new ATOM 0 HA THR A 76 -0.538 10.177 -11.246 1.00 0.00 H new ATOM 0 HB THR A 76 -1.501 11.464 -13.185 1.00 0.00 H new ATOM 0 HG1 THR A 76 -1.260 10.454 -15.286 1.00 0.00 H new ATOM 0 HG21 THR A 76 0.621 11.656 -14.429 1.00 0.00 H new ATOM 0 HG22 THR A 76 0.893 11.582 -12.672 1.00 0.00 H new ATOM 0 HG23 THR A 76 1.191 10.146 -13.679 1.00 0.00 H new ATOM 1137 N SER A 77 -2.778 8.393 -11.047 1.00 0.00 N ATOM 1138 CA SER A 77 -4.152 8.065 -10.689 1.00 0.00 C ATOM 1139 C SER A 77 -4.234 7.564 -9.250 1.00 0.00 C ATOM 1140 O SER A 77 -3.218 7.231 -8.638 1.00 0.00 O ATOM 1141 CB SER A 77 -4.712 7.007 -11.642 1.00 0.00 C ATOM 1142 OG SER A 77 -4.720 7.477 -12.978 1.00 0.00 O ATOM 0 H SER A 77 -2.081 7.745 -10.681 1.00 0.00 H new ATOM 0 HA SER A 77 -4.749 8.973 -10.774 1.00 0.00 H new ATOM 0 HB2 SER A 77 -4.112 6.100 -11.576 1.00 0.00 H new ATOM 0 HB3 SER A 77 -5.725 6.741 -11.341 1.00 0.00 H new ATOM 0 HG SER A 77 -5.081 6.782 -13.567 1.00 0.00 H new ATOM 1148 N LEU A 78 -5.449 7.513 -8.716 1.00 0.00 N ATOM 1149 CA LEU A 78 -5.665 7.052 -7.349 1.00 0.00 C ATOM 1150 C LEU A 78 -5.955 5.555 -7.318 1.00 0.00 C ATOM 1151 O LEU A 78 -6.633 5.062 -6.416 1.00 0.00 O ATOM 1152 CB LEU A 78 -6.822 7.821 -6.708 1.00 0.00 C ATOM 1153 CG LEU A 78 -6.653 9.338 -6.620 1.00 0.00 C ATOM 1154 CD1 LEU A 78 -7.969 10.000 -6.242 1.00 0.00 C ATOM 1155 CD2 LEU A 78 -5.566 9.697 -5.618 1.00 0.00 C ATOM 0 H LEU A 78 -6.300 7.785 -9.209 1.00 0.00 H new ATOM 0 HA LEU A 78 -4.754 7.238 -6.781 1.00 0.00 H new ATOM 0 HB2 LEU A 78 -7.730 7.609 -7.273 1.00 0.00 H new ATOM 0 HB3 LEU A 78 -6.975 7.434 -5.701 1.00 0.00 H new ATOM 0 HG LEU A 78 -6.352 9.708 -7.600 1.00 0.00 H new ATOM 0 HD11 LEU A 78 -7.830 11.080 -6.184 1.00 0.00 H new ATOM 0 HD12 LEU A 78 -8.721 9.771 -6.997 1.00 0.00 H new ATOM 0 HD13 LEU A 78 -8.300 9.624 -5.274 1.00 0.00 H new ATOM 0 HD21 LEU A 78 -5.460 10.781 -5.569 1.00 0.00 H new ATOM 0 HD22 LEU A 78 -5.837 9.314 -4.634 1.00 0.00 H new ATOM 0 HD23 LEU A 78 -4.621 9.254 -5.932 1.00 0.00 H new ATOM 1167 N SER A 79 -5.435 4.836 -8.307 1.00 0.00 N ATOM 1168 CA SER A 79 -5.639 3.395 -8.395 1.00 0.00 C ATOM 1169 C SER A 79 -4.586 2.750 -9.291 1.00 0.00 C ATOM 1170 O SER A 79 -4.364 3.187 -10.420 1.00 0.00 O ATOM 1171 CB SER A 79 -7.038 3.088 -8.931 1.00 0.00 C ATOM 1172 OG SER A 79 -7.237 3.679 -10.204 1.00 0.00 O ATOM 0 H SER A 79 -4.869 5.228 -9.059 1.00 0.00 H new ATOM 0 HA SER A 79 -5.542 2.978 -7.393 1.00 0.00 H new ATOM 0 HB2 SER A 79 -7.175 2.009 -9.002 1.00 0.00 H new ATOM 0 HB3 SER A 79 -7.788 3.459 -8.233 1.00 0.00 H new ATOM 0 HG SER A 79 -6.427 3.572 -10.745 1.00 0.00 H new ATOM 1178 N TYR A 80 -3.939 1.709 -8.778 1.00 0.00 N ATOM 1179 CA TYR A 80 -2.908 1.005 -9.530 1.00 0.00 C ATOM 1180 C TYR A 80 -3.135 -0.503 -9.486 1.00 0.00 C ATOM 1181 O TYR A 80 -3.520 -1.056 -8.455 1.00 0.00 O ATOM 1182 CB TYR A 80 -1.523 1.339 -8.972 1.00 0.00 C ATOM 1183 CG TYR A 80 -0.397 0.610 -9.670 1.00 0.00 C ATOM 1184 CD1 TYR A 80 -0.027 -0.671 -9.281 1.00 0.00 C ATOM 1185 CD2 TYR A 80 0.296 1.202 -10.719 1.00 0.00 C ATOM 1186 CE1 TYR A 80 1.002 -1.341 -9.915 1.00 0.00 C ATOM 1187 CE2 TYR A 80 1.325 0.539 -11.359 1.00 0.00 C ATOM 1188 CZ TYR A 80 1.675 -0.732 -10.954 1.00 0.00 C ATOM 1189 OH TYR A 80 2.699 -1.396 -11.588 1.00 0.00 O ATOM 0 H TYR A 80 -4.111 1.335 -7.845 1.00 0.00 H new ATOM 0 HA TYR A 80 -2.964 1.333 -10.568 1.00 0.00 H new ATOM 0 HB2 TYR A 80 -1.356 2.413 -9.056 1.00 0.00 H new ATOM 0 HB3 TYR A 80 -1.500 1.094 -7.910 1.00 0.00 H new ATOM 0 HD1 TYR A 80 -0.553 -1.152 -8.469 1.00 0.00 H new ATOM 0 HD2 TYR A 80 0.025 2.197 -11.039 1.00 0.00 H new ATOM 0 HE1 TYR A 80 1.278 -2.336 -9.599 1.00 0.00 H new ATOM 0 HE2 TYR A 80 1.853 1.014 -12.173 1.00 0.00 H new ATOM 0 HH TYR A 80 2.560 -1.362 -12.558 1.00 0.00 H new ATOM 1199 N THR A 81 -2.894 -1.165 -10.614 1.00 0.00 N ATOM 1200 CA THR A 81 -3.072 -2.608 -10.707 1.00 0.00 C ATOM 1201 C THR A 81 -1.728 -3.325 -10.778 1.00 0.00 C ATOM 1202 O THR A 81 -1.042 -3.277 -11.799 1.00 0.00 O ATOM 1203 CB THR A 81 -3.912 -2.992 -11.939 1.00 0.00 C ATOM 1204 OG1 THR A 81 -5.097 -2.190 -11.994 1.00 0.00 O ATOM 1205 CG2 THR A 81 -4.292 -4.465 -11.897 1.00 0.00 C ATOM 0 H THR A 81 -2.575 -0.723 -11.476 1.00 0.00 H new ATOM 0 HA THR A 81 -3.599 -2.920 -9.806 1.00 0.00 H new ATOM 0 HB THR A 81 -3.311 -2.813 -12.831 1.00 0.00 H new ATOM 0 HG1 THR A 81 -5.625 -2.439 -12.781 1.00 0.00 H new ATOM 0 HG21 THR A 81 -4.885 -4.713 -12.777 1.00 0.00 H new ATOM 0 HG22 THR A 81 -3.388 -5.074 -11.885 1.00 0.00 H new ATOM 0 HG23 THR A 81 -4.876 -4.665 -10.998 1.00 0.00 H new ATOM 1213 N ALA A 82 -1.359 -3.989 -9.688 1.00 0.00 N ATOM 1214 CA ALA A 82 -0.098 -4.718 -9.629 1.00 0.00 C ATOM 1215 C ALA A 82 -0.227 -6.092 -10.279 1.00 0.00 C ATOM 1216 O ALA A 82 -0.716 -7.039 -9.663 1.00 0.00 O ATOM 1217 CB ALA A 82 0.365 -4.856 -8.186 1.00 0.00 C ATOM 0 H ALA A 82 -1.915 -4.037 -8.834 1.00 0.00 H new ATOM 0 HA ALA A 82 0.648 -4.150 -10.186 1.00 0.00 H new ATOM 0 HB1 ALA A 82 1.308 -5.402 -8.157 1.00 0.00 H new ATOM 0 HB2 ALA A 82 0.506 -3.866 -7.753 1.00 0.00 H new ATOM 0 HB3 ALA A 82 -0.387 -5.399 -7.613 1.00 0.00 H new ATOM 1223 N THR A 83 0.215 -6.194 -11.529 1.00 0.00 N ATOM 1224 CA THR A 83 0.147 -7.451 -12.263 1.00 0.00 C ATOM 1225 C THR A 83 1.479 -8.191 -12.209 1.00 0.00 C ATOM 1226 O THR A 83 2.532 -7.582 -12.032 1.00 0.00 O ATOM 1227 CB THR A 83 -0.240 -7.221 -13.736 1.00 0.00 C ATOM 1228 OG1 THR A 83 0.685 -6.316 -14.350 1.00 0.00 O ATOM 1229 CG2 THR A 83 -1.651 -6.662 -13.844 1.00 0.00 C ATOM 0 H THR A 83 0.624 -5.421 -12.054 1.00 0.00 H new ATOM 0 HA THR A 83 -0.622 -8.056 -11.783 1.00 0.00 H new ATOM 0 HB THR A 83 -0.206 -8.181 -14.252 1.00 0.00 H new ATOM 0 HG1 THR A 83 0.433 -6.176 -15.287 1.00 0.00 H new ATOM 0 HG21 THR A 83 -1.902 -6.508 -14.893 1.00 0.00 H new ATOM 0 HG22 THR A 83 -2.356 -7.366 -13.402 1.00 0.00 H new ATOM 0 HG23 THR A 83 -1.707 -5.711 -13.314 1.00 0.00 H new ATOM 1237 N GLY A 84 1.423 -9.511 -12.364 1.00 0.00 N ATOM 1238 CA GLY A 84 2.632 -10.313 -12.330 1.00 0.00 C ATOM 1239 C GLY A 84 3.149 -10.524 -10.921 1.00 0.00 C ATOM 1240 O GLY A 84 4.316 -10.255 -10.632 1.00 0.00 O ATOM 0 H GLY A 84 0.563 -10.038 -12.512 1.00 0.00 H new ATOM 0 HA2 GLY A 84 2.435 -11.281 -12.790 1.00 0.00 H new ATOM 0 HA3 GLY A 84 3.403 -9.827 -12.928 1.00 0.00 H new ATOM 1244 N LEU A 85 2.279 -11.006 -10.040 1.00 0.00 N ATOM 1245 CA LEU A 85 2.653 -11.252 -8.651 1.00 0.00 C ATOM 1246 C LEU A 85 2.632 -12.744 -8.338 1.00 0.00 C ATOM 1247 O LEU A 85 2.251 -13.561 -9.177 1.00 0.00 O ATOM 1248 CB LEU A 85 1.707 -10.507 -7.708 1.00 0.00 C ATOM 1249 CG LEU A 85 1.211 -9.144 -8.193 1.00 0.00 C ATOM 1250 CD1 LEU A 85 -0.056 -8.744 -7.454 1.00 0.00 C ATOM 1251 CD2 LEU A 85 2.292 -8.089 -8.012 1.00 0.00 C ATOM 0 H LEU A 85 1.310 -11.234 -10.262 1.00 0.00 H new ATOM 0 HA LEU A 85 3.668 -10.883 -8.503 1.00 0.00 H new ATOM 0 HB2 LEU A 85 0.840 -11.141 -7.520 1.00 0.00 H new ATOM 0 HB3 LEU A 85 2.213 -10.368 -6.753 1.00 0.00 H new ATOM 0 HG LEU A 85 0.979 -9.219 -9.255 1.00 0.00 H new ATOM 0 HD11 LEU A 85 -0.394 -7.772 -7.812 1.00 0.00 H new ATOM 0 HD12 LEU A 85 -0.832 -9.487 -7.634 1.00 0.00 H new ATOM 0 HD13 LEU A 85 0.149 -8.686 -6.385 1.00 0.00 H new ATOM 0 HD21 LEU A 85 1.922 -7.125 -8.362 1.00 0.00 H new ATOM 0 HD22 LEU A 85 2.555 -8.015 -6.957 1.00 0.00 H new ATOM 0 HD23 LEU A 85 3.174 -8.370 -8.587 1.00 0.00 H new ATOM 1263 N LYS A 86 3.041 -13.094 -7.123 1.00 0.00 N ATOM 1264 CA LYS A 86 3.066 -14.488 -6.696 1.00 0.00 C ATOM 1265 C LYS A 86 1.716 -14.905 -6.121 1.00 0.00 C ATOM 1266 O LYS A 86 1.105 -14.190 -5.327 1.00 0.00 O ATOM 1267 CB LYS A 86 4.165 -14.703 -5.652 1.00 0.00 C ATOM 1268 CG LYS A 86 4.432 -16.166 -5.343 1.00 0.00 C ATOM 1269 CD LYS A 86 5.338 -16.324 -4.133 1.00 0.00 C ATOM 1270 CE LYS A 86 6.761 -15.887 -4.442 1.00 0.00 C ATOM 1271 NZ LYS A 86 7.590 -17.015 -4.949 1.00 0.00 N ATOM 0 H LYS A 86 3.360 -12.431 -6.416 1.00 0.00 H new ATOM 0 HA LYS A 86 3.276 -15.106 -7.569 1.00 0.00 H new ATOM 0 HB2 LYS A 86 5.087 -14.241 -6.006 1.00 0.00 H new ATOM 0 HB3 LYS A 86 3.885 -14.191 -4.731 1.00 0.00 H new ATOM 0 HG2 LYS A 86 3.487 -16.679 -5.161 1.00 0.00 H new ATOM 0 HG3 LYS A 86 4.892 -16.643 -6.208 1.00 0.00 H new ATOM 0 HD2 LYS A 86 4.947 -15.734 -3.305 1.00 0.00 H new ATOM 0 HD3 LYS A 86 5.338 -17.365 -3.810 1.00 0.00 H new ATOM 0 HE2 LYS A 86 6.743 -15.088 -5.183 1.00 0.00 H new ATOM 0 HE3 LYS A 86 7.218 -15.476 -3.542 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 8.553 -16.676 -5.148 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 7.629 -17.767 -4.232 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 7.168 -17.391 -5.822 1.00 0.00 H new ATOM 1285 N PRO A 87 1.239 -16.091 -6.529 1.00 0.00 N ATOM 1286 CA PRO A 87 -0.042 -16.630 -6.066 1.00 0.00 C ATOM 1287 C PRO A 87 -0.001 -17.042 -4.598 1.00 0.00 C ATOM 1288 O PRO A 87 1.043 -17.442 -4.085 1.00 0.00 O ATOM 1289 CB PRO A 87 -0.255 -17.855 -6.959 1.00 0.00 C ATOM 1290 CG PRO A 87 1.116 -18.265 -7.373 1.00 0.00 C ATOM 1291 CD PRO A 87 1.915 -16.996 -7.475 1.00 0.00 C ATOM 0 HA PRO A 87 -0.842 -15.893 -6.132 1.00 0.00 H new ATOM 0 HB2 PRO A 87 -0.761 -18.655 -6.419 1.00 0.00 H new ATOM 0 HB3 PRO A 87 -0.874 -17.612 -7.823 1.00 0.00 H new ATOM 0 HG2 PRO A 87 1.556 -18.946 -6.644 1.00 0.00 H new ATOM 0 HG3 PRO A 87 1.095 -18.790 -8.328 1.00 0.00 H new ATOM 0 HD2 PRO A 87 2.959 -17.155 -7.203 1.00 0.00 H new ATOM 0 HD3 PRO A 87 1.907 -16.596 -8.489 1.00 0.00 H new ATOM 1299 N ASN A 88 -1.144 -16.941 -3.927 1.00 0.00 N ATOM 1300 CA ASN A 88 -1.238 -17.304 -2.518 1.00 0.00 C ATOM 1301 C ASN A 88 -0.140 -16.622 -1.707 1.00 0.00 C ATOM 1302 O ASN A 88 0.385 -17.192 -0.749 1.00 0.00 O ATOM 1303 CB ASN A 88 -1.142 -18.822 -2.352 1.00 0.00 C ATOM 1304 CG ASN A 88 0.262 -19.342 -2.591 1.00 0.00 C ATOM 1305 OD1 ASN A 88 0.498 -19.885 -3.779 1.00 0.00 O flip ATOM 1306 ND2 ASN A 88 1.124 -19.256 -1.716 1.00 0.00 N flip ATOM 0 H ASN A 88 -2.018 -16.611 -4.337 1.00 0.00 H new ATOM 0 HA ASN A 88 -2.205 -16.966 -2.145 1.00 0.00 H new ATOM 0 HB2 ASN A 88 -1.462 -19.096 -1.346 1.00 0.00 H new ATOM 0 HB3 ASN A 88 -1.829 -19.305 -3.047 1.00 0.00 H new ATOM 0 HD21 ASN A 88 0.898 -18.831 -0.817 1.00 0.00 H new ATOM 0 HD22 ASN A 88 2.065 -19.610 -1.890 1.00 0.00 H new ATOM 1313 N THR A 89 0.204 -15.399 -2.097 1.00 0.00 N ATOM 1314 CA THR A 89 1.239 -14.639 -1.407 1.00 0.00 C ATOM 1315 C THR A 89 0.816 -13.189 -1.206 1.00 0.00 C ATOM 1316 O THR A 89 0.446 -12.503 -2.159 1.00 0.00 O ATOM 1317 CB THR A 89 2.570 -14.671 -2.183 1.00 0.00 C ATOM 1318 OG1 THR A 89 2.846 -16.004 -2.628 1.00 0.00 O ATOM 1319 CG2 THR A 89 3.715 -14.173 -1.315 1.00 0.00 C ATOM 0 H THR A 89 -0.219 -14.913 -2.888 1.00 0.00 H new ATOM 0 HA THR A 89 1.382 -15.110 -0.435 1.00 0.00 H new ATOM 0 HB THR A 89 2.477 -14.012 -3.047 1.00 0.00 H new ATOM 0 HG1 THR A 89 2.153 -16.288 -3.260 1.00 0.00 H new ATOM 0 HG21 THR A 89 4.644 -14.205 -1.885 1.00 0.00 H new ATOM 0 HG22 THR A 89 3.516 -13.148 -1.003 1.00 0.00 H new ATOM 0 HG23 THR A 89 3.807 -14.809 -0.434 1.00 0.00 H new ATOM 1327 N MET A 90 0.873 -12.728 0.039 1.00 0.00 N ATOM 1328 CA MET A 90 0.497 -11.357 0.364 1.00 0.00 C ATOM 1329 C MET A 90 1.733 -10.475 0.515 1.00 0.00 C ATOM 1330 O MET A 90 2.792 -10.942 0.934 1.00 0.00 O ATOM 1331 CB MET A 90 -0.328 -11.323 1.651 1.00 0.00 C ATOM 1332 CG MET A 90 -0.651 -9.917 2.130 1.00 0.00 C ATOM 1333 SD MET A 90 0.583 -9.273 3.277 1.00 0.00 S ATOM 1334 CE MET A 90 0.450 -10.456 4.615 1.00 0.00 C ATOM 0 H MET A 90 1.176 -13.283 0.839 1.00 0.00 H new ATOM 0 HA MET A 90 -0.107 -10.969 -0.456 1.00 0.00 H new ATOM 0 HB2 MET A 90 -1.259 -11.866 1.490 1.00 0.00 H new ATOM 0 HB3 MET A 90 0.216 -11.849 2.435 1.00 0.00 H new ATOM 0 HG2 MET A 90 -0.724 -9.252 1.269 1.00 0.00 H new ATOM 0 HG3 MET A 90 -1.627 -9.918 2.615 1.00 0.00 H new ATOM 0 HE1 MET A 90 0.679 -9.964 5.560 1.00 0.00 H new ATOM 0 HE2 MET A 90 -0.564 -10.854 4.649 1.00 0.00 H new ATOM 0 HE3 MET A 90 1.154 -11.272 4.451 1.00 0.00 H new ATOM 1344 N TYR A 91 1.590 -9.200 0.171 1.00 0.00 N ATOM 1345 CA TYR A 91 2.696 -8.254 0.266 1.00 0.00 C ATOM 1346 C TYR A 91 2.237 -6.942 0.894 1.00 0.00 C ATOM 1347 O TYR A 91 1.105 -6.828 1.361 1.00 0.00 O ATOM 1348 CB TYR A 91 3.289 -7.990 -1.119 1.00 0.00 C ATOM 1349 CG TYR A 91 2.940 -9.050 -2.140 1.00 0.00 C ATOM 1350 CD1 TYR A 91 3.417 -10.349 -2.011 1.00 0.00 C ATOM 1351 CD2 TYR A 91 2.136 -8.753 -3.233 1.00 0.00 C ATOM 1352 CE1 TYR A 91 3.102 -11.321 -2.941 1.00 0.00 C ATOM 1353 CE2 TYR A 91 1.814 -9.718 -4.167 1.00 0.00 C ATOM 1354 CZ TYR A 91 2.300 -11.001 -4.017 1.00 0.00 C ATOM 1355 OH TYR A 91 1.983 -11.965 -4.946 1.00 0.00 O ATOM 0 H TYR A 91 0.719 -8.798 -0.176 1.00 0.00 H new ATOM 0 HA TYR A 91 3.463 -8.693 0.904 1.00 0.00 H new ATOM 0 HB2 TYR A 91 2.937 -7.023 -1.477 1.00 0.00 H new ATOM 0 HB3 TYR A 91 4.374 -7.923 -1.034 1.00 0.00 H new ATOM 0 HD1 TYR A 91 4.045 -10.603 -1.170 1.00 0.00 H new ATOM 0 HD2 TYR A 91 1.756 -7.749 -3.355 1.00 0.00 H new ATOM 0 HE1 TYR A 91 3.481 -12.326 -2.826 1.00 0.00 H new ATOM 0 HE2 TYR A 91 1.186 -9.470 -5.010 1.00 0.00 H new ATOM 0 HH TYR A 91 1.460 -12.674 -4.516 1.00 0.00 H new ATOM 1365 N GLU A 92 3.127 -5.954 0.901 1.00 0.00 N ATOM 1366 CA GLU A 92 2.814 -4.649 1.471 1.00 0.00 C ATOM 1367 C GLU A 92 2.462 -3.647 0.376 1.00 0.00 C ATOM 1368 O GLU A 92 3.072 -3.638 -0.693 1.00 0.00 O ATOM 1369 CB GLU A 92 3.997 -4.130 2.292 1.00 0.00 C ATOM 1370 CG GLU A 92 4.189 -4.860 3.611 1.00 0.00 C ATOM 1371 CD GLU A 92 5.470 -4.459 4.318 1.00 0.00 C ATOM 1372 OE1 GLU A 92 5.476 -3.401 4.981 1.00 0.00 O ATOM 1373 OE2 GLU A 92 6.466 -5.204 4.207 1.00 0.00 O ATOM 0 H GLU A 92 4.069 -6.033 0.519 1.00 0.00 H new ATOM 0 HA GLU A 92 1.950 -4.764 2.125 1.00 0.00 H new ATOM 0 HB2 GLU A 92 4.907 -4.222 1.700 1.00 0.00 H new ATOM 0 HB3 GLU A 92 3.852 -3.068 2.492 1.00 0.00 H new ATOM 0 HG2 GLU A 92 3.339 -4.655 4.262 1.00 0.00 H new ATOM 0 HG3 GLU A 92 4.200 -5.935 3.429 1.00 0.00 H new ATOM 1380 N PHE A 93 1.472 -2.803 0.651 1.00 0.00 N ATOM 1381 CA PHE A 93 1.037 -1.797 -0.310 1.00 0.00 C ATOM 1382 C PHE A 93 0.902 -0.431 0.356 1.00 0.00 C ATOM 1383 O PHE A 93 0.404 -0.321 1.476 1.00 0.00 O ATOM 1384 CB PHE A 93 -0.298 -2.205 -0.938 1.00 0.00 C ATOM 1385 CG PHE A 93 -0.197 -3.408 -1.831 1.00 0.00 C ATOM 1386 CD1 PHE A 93 -0.191 -4.686 -1.296 1.00 0.00 C ATOM 1387 CD2 PHE A 93 -0.109 -3.261 -3.206 1.00 0.00 C ATOM 1388 CE1 PHE A 93 -0.098 -5.795 -2.116 1.00 0.00 C ATOM 1389 CE2 PHE A 93 -0.016 -4.367 -4.031 1.00 0.00 C ATOM 1390 CZ PHE A 93 -0.011 -5.635 -3.485 1.00 0.00 C ATOM 0 H PHE A 93 0.957 -2.796 1.531 1.00 0.00 H new ATOM 0 HA PHE A 93 1.793 -1.727 -1.092 1.00 0.00 H new ATOM 0 HB2 PHE A 93 -1.016 -2.411 -0.144 1.00 0.00 H new ATOM 0 HB3 PHE A 93 -0.691 -1.367 -1.514 1.00 0.00 H new ATOM 0 HD1 PHE A 93 -0.260 -4.817 -0.226 1.00 0.00 H new ATOM 0 HD2 PHE A 93 -0.113 -2.271 -3.638 1.00 0.00 H new ATOM 0 HE1 PHE A 93 -0.093 -6.786 -1.686 1.00 0.00 H new ATOM 0 HE2 PHE A 93 0.053 -4.239 -5.101 1.00 0.00 H new ATOM 0 HZ PHE A 93 0.061 -6.500 -4.127 1.00 0.00 H new ATOM 1400 N SER A 94 1.349 0.608 -0.343 1.00 0.00 N ATOM 1401 CA SER A 94 1.282 1.967 0.182 1.00 0.00 C ATOM 1402 C SER A 94 1.219 2.985 -0.953 1.00 0.00 C ATOM 1403 O SER A 94 1.370 2.637 -2.124 1.00 0.00 O ATOM 1404 CB SER A 94 2.494 2.253 1.071 1.00 0.00 C ATOM 1405 OG SER A 94 2.182 3.216 2.063 1.00 0.00 O ATOM 0 H SER A 94 1.761 0.535 -1.273 1.00 0.00 H new ATOM 0 HA SER A 94 0.374 2.056 0.778 1.00 0.00 H new ATOM 0 HB2 SER A 94 2.826 1.330 1.547 1.00 0.00 H new ATOM 0 HB3 SER A 94 3.322 2.612 0.459 1.00 0.00 H new ATOM 0 HG SER A 94 1.784 2.769 2.839 1.00 0.00 H new ATOM 1411 N VAL A 95 0.994 4.246 -0.597 1.00 0.00 N ATOM 1412 CA VAL A 95 0.912 5.316 -1.584 1.00 0.00 C ATOM 1413 C VAL A 95 1.493 6.615 -1.037 1.00 0.00 C ATOM 1414 O VAL A 95 1.451 6.866 0.167 1.00 0.00 O ATOM 1415 CB VAL A 95 -0.544 5.563 -2.024 1.00 0.00 C ATOM 1416 CG1 VAL A 95 -0.608 6.677 -3.057 1.00 0.00 C ATOM 1417 CG2 VAL A 95 -1.159 4.283 -2.570 1.00 0.00 C ATOM 0 H VAL A 95 0.865 4.551 0.368 1.00 0.00 H new ATOM 0 HA VAL A 95 1.496 4.996 -2.447 1.00 0.00 H new ATOM 0 HB VAL A 95 -1.121 5.874 -1.153 1.00 0.00 H new ATOM 0 HG11 VAL A 95 -1.644 6.837 -3.356 1.00 0.00 H new ATOM 0 HG12 VAL A 95 -0.208 7.595 -2.627 1.00 0.00 H new ATOM 0 HG13 VAL A 95 -0.018 6.398 -3.930 1.00 0.00 H new ATOM 0 HG21 VAL A 95 -2.187 4.475 -2.876 1.00 0.00 H new ATOM 0 HG22 VAL A 95 -0.583 3.940 -3.429 1.00 0.00 H new ATOM 0 HG23 VAL A 95 -1.148 3.515 -1.796 1.00 0.00 H new ATOM 1427 N MET A 96 2.033 7.437 -1.929 1.00 0.00 N ATOM 1428 CA MET A 96 2.622 8.712 -1.535 1.00 0.00 C ATOM 1429 C MET A 96 2.460 9.751 -2.641 1.00 0.00 C ATOM 1430 O MET A 96 1.869 9.473 -3.685 1.00 0.00 O ATOM 1431 CB MET A 96 4.104 8.533 -1.202 1.00 0.00 C ATOM 1432 CG MET A 96 4.881 7.782 -2.271 1.00 0.00 C ATOM 1433 SD MET A 96 6.666 7.908 -2.050 1.00 0.00 S ATOM 1434 CE MET A 96 6.907 9.673 -2.238 1.00 0.00 C ATOM 0 H MET A 96 2.075 7.244 -2.930 1.00 0.00 H new ATOM 0 HA MET A 96 2.098 9.066 -0.647 1.00 0.00 H new ATOM 0 HB2 MET A 96 4.556 9.514 -1.057 1.00 0.00 H new ATOM 0 HB3 MET A 96 4.193 7.998 -0.256 1.00 0.00 H new ATOM 0 HG2 MET A 96 4.590 6.732 -2.256 1.00 0.00 H new ATOM 0 HG3 MET A 96 4.612 8.173 -3.252 1.00 0.00 H new ATOM 0 HE1 MET A 96 7.670 9.858 -2.994 1.00 0.00 H new ATOM 0 HE2 MET A 96 5.970 10.137 -2.547 1.00 0.00 H new ATOM 0 HE3 MET A 96 7.227 10.100 -1.287 1.00 0.00 H new ATOM 1444 N VAL A 97 2.988 10.947 -2.405 1.00 0.00 N ATOM 1445 CA VAL A 97 2.902 12.027 -3.381 1.00 0.00 C ATOM 1446 C VAL A 97 4.134 12.923 -3.319 1.00 0.00 C ATOM 1447 O VAL A 97 4.603 13.279 -2.237 1.00 0.00 O ATOM 1448 CB VAL A 97 1.644 12.886 -3.158 1.00 0.00 C ATOM 1449 CG1 VAL A 97 1.593 13.399 -1.727 1.00 0.00 C ATOM 1450 CG2 VAL A 97 1.605 14.041 -4.149 1.00 0.00 C ATOM 0 H VAL A 97 3.480 11.193 -1.546 1.00 0.00 H new ATOM 0 HA VAL A 97 2.845 11.561 -4.365 1.00 0.00 H new ATOM 0 HB VAL A 97 0.766 12.263 -3.326 1.00 0.00 H new ATOM 0 HG11 VAL A 97 0.697 14.004 -1.589 1.00 0.00 H new ATOM 0 HG12 VAL A 97 1.570 12.554 -1.038 1.00 0.00 H new ATOM 0 HG13 VAL A 97 2.475 14.007 -1.527 1.00 0.00 H new ATOM 0 HG21 VAL A 97 0.709 14.638 -3.977 1.00 0.00 H new ATOM 0 HG22 VAL A 97 2.488 14.665 -4.015 1.00 0.00 H new ATOM 0 HG23 VAL A 97 1.589 13.648 -5.166 1.00 0.00 H new ATOM 1460 N THR A 98 4.655 13.286 -4.487 1.00 0.00 N ATOM 1461 CA THR A 98 5.833 14.140 -4.566 1.00 0.00 C ATOM 1462 C THR A 98 5.497 15.482 -5.208 1.00 0.00 C ATOM 1463 O THR A 98 5.444 15.600 -6.433 1.00 0.00 O ATOM 1464 CB THR A 98 6.961 13.468 -5.370 1.00 0.00 C ATOM 1465 OG1 THR A 98 7.350 12.243 -4.739 1.00 0.00 O ATOM 1466 CG2 THR A 98 8.167 14.389 -5.485 1.00 0.00 C ATOM 0 H THR A 98 4.279 13.001 -5.392 1.00 0.00 H new ATOM 0 HA THR A 98 6.174 14.304 -3.544 1.00 0.00 H new ATOM 0 HB THR A 98 6.587 13.258 -6.372 1.00 0.00 H new ATOM 0 HG1 THR A 98 8.067 11.821 -5.258 1.00 0.00 H new ATOM 0 HG21 THR A 98 8.951 13.892 -6.057 1.00 0.00 H new ATOM 0 HG22 THR A 98 7.875 15.309 -5.992 1.00 0.00 H new ATOM 0 HG23 THR A 98 8.540 14.626 -4.489 1.00 0.00 H new ATOM 1474 N LYS A 99 5.271 16.491 -4.374 1.00 0.00 N ATOM 1475 CA LYS A 99 4.942 17.826 -4.860 1.00 0.00 C ATOM 1476 C LYS A 99 5.888 18.868 -4.271 1.00 0.00 C ATOM 1477 O LYS A 99 6.456 18.667 -3.198 1.00 0.00 O ATOM 1478 CB LYS A 99 3.495 18.178 -4.506 1.00 0.00 C ATOM 1479 CG LYS A 99 2.895 19.250 -5.398 1.00 0.00 C ATOM 1480 CD LYS A 99 1.803 20.026 -4.680 1.00 0.00 C ATOM 1481 CE LYS A 99 0.475 19.285 -4.718 1.00 0.00 C ATOM 1482 NZ LYS A 99 -0.066 19.188 -6.102 1.00 0.00 N ATOM 0 H LYS A 99 5.310 16.410 -3.358 1.00 0.00 H new ATOM 0 HA LYS A 99 5.056 17.829 -5.944 1.00 0.00 H new ATOM 0 HB2 LYS A 99 2.884 17.278 -4.573 1.00 0.00 H new ATOM 0 HB3 LYS A 99 3.455 18.515 -3.470 1.00 0.00 H new ATOM 0 HG2 LYS A 99 3.678 19.936 -5.721 1.00 0.00 H new ATOM 0 HG3 LYS A 99 2.485 18.789 -6.296 1.00 0.00 H new ATOM 0 HD2 LYS A 99 2.097 20.195 -3.644 1.00 0.00 H new ATOM 0 HD3 LYS A 99 1.687 21.006 -5.143 1.00 0.00 H new ATOM 0 HE2 LYS A 99 0.606 18.284 -4.308 1.00 0.00 H new ATOM 0 HE3 LYS A 99 -0.246 19.798 -4.081 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 -0.786 18.439 -6.142 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 -0.496 20.096 -6.371 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 0.706 18.962 -6.761 1.00 0.00 H new ATOM 1496 N ASN A 100 6.050 19.981 -4.979 1.00 0.00 N ATOM 1497 CA ASN A 100 6.927 21.055 -4.524 1.00 0.00 C ATOM 1498 C ASN A 100 8.378 20.587 -4.474 1.00 0.00 C ATOM 1499 O ASN A 100 9.106 20.892 -3.529 1.00 0.00 O ATOM 1500 CB ASN A 100 6.490 21.548 -3.144 1.00 0.00 C ATOM 1501 CG ASN A 100 5.473 22.670 -3.226 1.00 0.00 C ATOM 1502 OD1 ASN A 100 4.354 22.546 -2.729 1.00 0.00 O ATOM 1503 ND2 ASN A 100 5.859 23.773 -3.857 1.00 0.00 N ATOM 0 H ASN A 100 5.586 20.163 -5.869 1.00 0.00 H new ATOM 0 HA ASN A 100 6.853 21.877 -5.236 1.00 0.00 H new ATOM 0 HB2 ASN A 100 6.065 20.716 -2.582 1.00 0.00 H new ATOM 0 HB3 ASN A 100 7.364 21.893 -2.591 1.00 0.00 H new ATOM 0 HD21 ASN A 100 5.218 24.561 -3.945 1.00 0.00 H new ATOM 0 HD22 ASN A 100 6.797 23.832 -4.254 1.00 0.00 H new ATOM 1510 N ARG A 101 8.792 19.847 -5.497 1.00 0.00 N ATOM 1511 CA ARG A 101 10.156 19.337 -5.569 1.00 0.00 C ATOM 1512 C ARG A 101 10.527 18.594 -4.289 1.00 0.00 C ATOM 1513 O ARG A 101 11.617 18.778 -3.747 1.00 0.00 O ATOM 1514 CB ARG A 101 11.139 20.484 -5.810 1.00 0.00 C ATOM 1515 CG ARG A 101 12.575 20.024 -6.007 1.00 0.00 C ATOM 1516 CD ARG A 101 12.951 19.986 -7.479 1.00 0.00 C ATOM 1517 NE ARG A 101 12.934 21.315 -8.083 1.00 0.00 N ATOM 1518 CZ ARG A 101 13.250 21.551 -9.352 1.00 0.00 C ATOM 1519 NH1 ARG A 101 13.606 20.551 -10.146 1.00 0.00 N ATOM 1520 NH2 ARG A 101 13.210 22.789 -9.828 1.00 0.00 N ATOM 0 H ARG A 101 8.202 19.587 -6.288 1.00 0.00 H new ATOM 0 HA ARG A 101 10.213 18.638 -6.403 1.00 0.00 H new ATOM 0 HB2 ARG A 101 10.822 21.044 -6.690 1.00 0.00 H new ATOM 0 HB3 ARG A 101 11.099 21.170 -4.964 1.00 0.00 H new ATOM 0 HG2 ARG A 101 13.249 20.695 -5.475 1.00 0.00 H new ATOM 0 HG3 ARG A 101 12.704 19.033 -5.572 1.00 0.00 H new ATOM 0 HD2 ARG A 101 13.944 19.551 -7.588 1.00 0.00 H new ATOM 0 HD3 ARG A 101 12.258 19.336 -8.013 1.00 0.00 H new ATOM 0 HE ARG A 101 12.665 22.106 -7.499 1.00 0.00 H new ATOM 0 HH11 ARG A 101 13.638 19.598 -9.783 1.00 0.00 H new ATOM 0 HH12 ARG A 101 13.848 20.734 -11.120 1.00 0.00 H new ATOM 0 HH21 ARG A 101 12.937 23.561 -9.220 1.00 0.00 H new ATOM 0 HH22 ARG A 101 13.453 22.969 -10.802 1.00 0.00 H new ATOM 1534 N ARG A 102 9.613 17.757 -3.811 1.00 0.00 N ATOM 1535 CA ARG A 102 9.844 16.988 -2.594 1.00 0.00 C ATOM 1536 C ARG A 102 8.870 15.817 -2.497 1.00 0.00 C ATOM 1537 O ARG A 102 7.735 15.901 -2.966 1.00 0.00 O ATOM 1538 CB ARG A 102 9.702 17.886 -1.363 1.00 0.00 C ATOM 1539 CG ARG A 102 8.269 18.308 -1.079 1.00 0.00 C ATOM 1540 CD ARG A 102 8.101 18.773 0.359 1.00 0.00 C ATOM 1541 NE ARG A 102 8.372 20.200 0.508 1.00 0.00 N ATOM 1542 CZ ARG A 102 9.593 20.705 0.647 1.00 0.00 C ATOM 1543 NH1 ARG A 102 10.649 19.904 0.655 1.00 0.00 N ATOM 1544 NH2 ARG A 102 9.759 22.015 0.777 1.00 0.00 N ATOM 0 H ARG A 102 8.706 17.594 -4.247 1.00 0.00 H new ATOM 0 HA ARG A 102 10.859 16.592 -2.632 1.00 0.00 H new ATOM 0 HB2 ARG A 102 10.096 17.361 -0.493 1.00 0.00 H new ATOM 0 HB3 ARG A 102 10.314 18.777 -1.501 1.00 0.00 H new ATOM 0 HG2 ARG A 102 7.983 19.111 -1.758 1.00 0.00 H new ATOM 0 HG3 ARG A 102 7.597 17.472 -1.273 1.00 0.00 H new ATOM 0 HD2 ARG A 102 7.085 18.560 0.692 1.00 0.00 H new ATOM 0 HD3 ARG A 102 8.773 18.207 1.004 1.00 0.00 H new ATOM 0 HE ARG A 102 7.581 20.844 0.505 1.00 0.00 H new ATOM 0 HH11 ARG A 102 10.526 18.897 0.554 1.00 0.00 H new ATOM 0 HH12 ARG A 102 11.585 20.295 0.762 1.00 0.00 H new ATOM 0 HH21 ARG A 102 8.949 22.635 0.770 1.00 0.00 H new ATOM 0 HH22 ARG A 102 10.697 22.402 0.884 1.00 0.00 H new ATOM 1558 N SER A 103 9.322 14.727 -1.886 1.00 0.00 N ATOM 1559 CA SER A 103 8.492 13.538 -1.732 1.00 0.00 C ATOM 1560 C SER A 103 7.930 13.448 -0.316 1.00 0.00 C ATOM 1561 O SER A 103 8.623 13.740 0.659 1.00 0.00 O ATOM 1562 CB SER A 103 9.302 12.280 -2.052 1.00 0.00 C ATOM 1563 OG SER A 103 10.073 11.872 -0.935 1.00 0.00 O ATOM 0 H SER A 103 10.258 14.642 -1.490 1.00 0.00 H new ATOM 0 HA SER A 103 7.659 13.613 -2.431 1.00 0.00 H new ATOM 0 HB2 SER A 103 8.628 11.475 -2.346 1.00 0.00 H new ATOM 0 HB3 SER A 103 9.959 12.473 -2.900 1.00 0.00 H new ATOM 0 HG SER A 103 10.580 11.065 -1.165 1.00 0.00 H new ATOM 1569 N SER A 104 6.669 13.041 -0.212 1.00 0.00 N ATOM 1570 CA SER A 104 6.010 12.916 1.083 1.00 0.00 C ATOM 1571 C SER A 104 6.274 11.544 1.696 1.00 0.00 C ATOM 1572 O SER A 104 7.046 10.748 1.159 1.00 0.00 O ATOM 1573 CB SER A 104 4.504 13.141 0.937 1.00 0.00 C ATOM 1574 OG SER A 104 3.842 11.942 0.574 1.00 0.00 O ATOM 0 H SER A 104 6.083 12.792 -1.009 1.00 0.00 H new ATOM 0 HA SER A 104 6.421 13.677 1.747 1.00 0.00 H new ATOM 0 HB2 SER A 104 4.096 13.515 1.876 1.00 0.00 H new ATOM 0 HB3 SER A 104 4.319 13.905 0.182 1.00 0.00 H new ATOM 0 HG SER A 104 2.873 12.069 0.644 1.00 0.00 H new ATOM 1580 N THR A 105 5.627 11.272 2.825 1.00 0.00 N ATOM 1581 CA THR A 105 5.791 9.998 3.513 1.00 0.00 C ATOM 1582 C THR A 105 4.770 8.975 3.027 1.00 0.00 C ATOM 1583 O THR A 105 3.792 9.327 2.368 1.00 0.00 O ATOM 1584 CB THR A 105 5.652 10.161 5.038 1.00 0.00 C ATOM 1585 OG1 THR A 105 6.002 8.938 5.696 1.00 0.00 O ATOM 1586 CG2 THR A 105 4.231 10.555 5.413 1.00 0.00 C ATOM 0 H THR A 105 4.984 11.918 3.282 1.00 0.00 H new ATOM 0 HA THR A 105 6.795 9.642 3.283 1.00 0.00 H new ATOM 0 HB THR A 105 6.329 10.953 5.359 1.00 0.00 H new ATOM 0 HG1 THR A 105 5.913 9.051 6.665 1.00 0.00 H new ATOM 0 HG21 THR A 105 4.157 10.664 6.495 1.00 0.00 H new ATOM 0 HG22 THR A 105 3.977 11.501 4.935 1.00 0.00 H new ATOM 0 HG23 THR A 105 3.539 9.782 5.078 1.00 0.00 H new ATOM 1594 N TRP A 106 5.004 7.711 3.358 1.00 0.00 N ATOM 1595 CA TRP A 106 4.103 6.637 2.955 1.00 0.00 C ATOM 1596 C TRP A 106 2.983 6.455 3.974 1.00 0.00 C ATOM 1597 O TRP A 106 3.228 6.420 5.179 1.00 0.00 O ATOM 1598 CB TRP A 106 4.877 5.328 2.791 1.00 0.00 C ATOM 1599 CG TRP A 106 6.024 5.433 1.832 1.00 0.00 C ATOM 1600 CD1 TRP A 106 7.300 5.826 2.120 1.00 0.00 C ATOM 1601 CD2 TRP A 106 5.998 5.141 0.430 1.00 0.00 C ATOM 1602 NE1 TRP A 106 8.069 5.797 0.982 1.00 0.00 N ATOM 1603 CE2 TRP A 106 7.294 5.379 -0.068 1.00 0.00 C ATOM 1604 CE3 TRP A 106 5.008 4.701 -0.451 1.00 0.00 C ATOM 1605 CZ2 TRP A 106 7.622 5.193 -1.409 1.00 0.00 C ATOM 1606 CZ3 TRP A 106 5.334 4.516 -1.781 1.00 0.00 C ATOM 1607 CH2 TRP A 106 6.632 4.761 -2.250 1.00 0.00 C ATOM 0 H TRP A 106 5.809 7.404 3.904 1.00 0.00 H new ATOM 0 HA TRP A 106 3.658 6.910 1.998 1.00 0.00 H new ATOM 0 HB2 TRP A 106 5.254 5.013 3.764 1.00 0.00 H new ATOM 0 HB3 TRP A 106 4.194 4.551 2.446 1.00 0.00 H new ATOM 0 HD1 TRP A 106 7.653 6.117 3.099 1.00 0.00 H new ATOM 0 HE1 TRP A 106 9.057 6.046 0.927 1.00 0.00 H new ATOM 0 HE3 TRP A 106 4.005 4.509 -0.099 1.00 0.00 H new ATOM 0 HZ2 TRP A 106 8.621 5.383 -1.772 1.00 0.00 H new ATOM 0 HZ3 TRP A 106 4.576 4.177 -2.471 1.00 0.00 H new ATOM 0 HH2 TRP A 106 6.855 4.606 -3.295 1.00 0.00 H new ATOM 1618 N SER A 107 1.753 6.340 3.481 1.00 0.00 N ATOM 1619 CA SER A 107 0.595 6.166 4.350 1.00 0.00 C ATOM 1620 C SER A 107 0.494 4.723 4.836 1.00 0.00 C ATOM 1621 O SER A 107 1.243 3.853 4.394 1.00 0.00 O ATOM 1622 CB SER A 107 -0.686 6.558 3.612 1.00 0.00 C ATOM 1623 OG SER A 107 -1.826 6.367 4.432 1.00 0.00 O ATOM 0 H SER A 107 1.533 6.364 2.485 1.00 0.00 H new ATOM 0 HA SER A 107 0.720 6.816 5.216 1.00 0.00 H new ATOM 0 HB2 SER A 107 -0.627 7.602 3.304 1.00 0.00 H new ATOM 0 HB3 SER A 107 -0.783 5.962 2.704 1.00 0.00 H new ATOM 0 HG SER A 107 -2.473 7.084 4.265 1.00 0.00 H new ATOM 1629 N MET A 108 -0.439 4.478 5.751 1.00 0.00 N ATOM 1630 CA MET A 108 -0.640 3.141 6.298 1.00 0.00 C ATOM 1631 C MET A 108 -0.547 2.086 5.200 1.00 0.00 C ATOM 1632 O MET A 108 -1.068 2.271 4.100 1.00 0.00 O ATOM 1633 CB MET A 108 -1.999 3.051 6.994 1.00 0.00 C ATOM 1634 CG MET A 108 -3.167 3.435 6.100 1.00 0.00 C ATOM 1635 SD MET A 108 -4.697 2.597 6.558 1.00 0.00 S ATOM 1636 CE MET A 108 -4.876 1.450 5.194 1.00 0.00 C ATOM 0 H MET A 108 -1.067 5.187 6.129 1.00 0.00 H new ATOM 0 HA MET A 108 0.147 2.951 7.028 1.00 0.00 H new ATOM 0 HB2 MET A 108 -2.147 2.033 7.354 1.00 0.00 H new ATOM 0 HB3 MET A 108 -1.993 3.701 7.869 1.00 0.00 H new ATOM 0 HG2 MET A 108 -3.319 4.513 6.150 1.00 0.00 H new ATOM 0 HG3 MET A 108 -2.922 3.195 5.065 1.00 0.00 H new ATOM 0 HE1 MET A 108 -5.179 0.475 5.576 1.00 0.00 H new ATOM 0 HE2 MET A 108 -5.634 1.821 4.504 1.00 0.00 H new ATOM 0 HE3 MET A 108 -3.924 1.355 4.671 1.00 0.00 H new ATOM 1646 N THR A 109 0.120 0.977 5.507 1.00 0.00 N ATOM 1647 CA THR A 109 0.283 -0.107 4.546 1.00 0.00 C ATOM 1648 C THR A 109 -0.962 -0.986 4.494 1.00 0.00 C ATOM 1649 O THR A 109 -1.535 -1.328 5.528 1.00 0.00 O ATOM 1650 CB THR A 109 1.502 -0.983 4.889 1.00 0.00 C ATOM 1651 OG1 THR A 109 2.700 -0.199 4.832 1.00 0.00 O ATOM 1652 CG2 THR A 109 1.612 -2.157 3.928 1.00 0.00 C ATOM 0 H THR A 109 0.556 0.806 6.413 1.00 0.00 H new ATOM 0 HA THR A 109 0.440 0.355 3.571 1.00 0.00 H new ATOM 0 HB THR A 109 1.370 -1.372 5.899 1.00 0.00 H new ATOM 0 HG1 THR A 109 3.471 -0.763 5.053 1.00 0.00 H new ATOM 0 HG21 THR A 109 2.480 -2.762 4.190 1.00 0.00 H new ATOM 0 HG22 THR A 109 0.711 -2.767 3.995 1.00 0.00 H new ATOM 0 HG23 THR A 109 1.723 -1.784 2.910 1.00 0.00 H new ATOM 1660 N ALA A 110 -1.373 -1.350 3.284 1.00 0.00 N ATOM 1661 CA ALA A 110 -2.548 -2.193 3.098 1.00 0.00 C ATOM 1662 C ALA A 110 -2.149 -3.614 2.715 1.00 0.00 C ATOM 1663 O ALA A 110 -1.541 -3.838 1.668 1.00 0.00 O ATOM 1664 CB ALA A 110 -3.463 -1.595 2.040 1.00 0.00 C ATOM 0 H ALA A 110 -0.910 -1.075 2.418 1.00 0.00 H new ATOM 0 HA ALA A 110 -3.087 -2.238 4.045 1.00 0.00 H new ATOM 0 HB1 ALA A 110 -4.336 -2.234 1.911 1.00 0.00 H new ATOM 0 HB2 ALA A 110 -3.783 -0.602 2.355 1.00 0.00 H new ATOM 0 HB3 ALA A 110 -2.926 -1.520 1.095 1.00 0.00 H new ATOM 1670 N HIS A 111 -2.496 -4.571 3.569 1.00 0.00 N ATOM 1671 CA HIS A 111 -2.174 -5.972 3.319 1.00 0.00 C ATOM 1672 C HIS A 111 -3.284 -6.651 2.522 1.00 0.00 C ATOM 1673 O HIS A 111 -4.462 -6.530 2.854 1.00 0.00 O ATOM 1674 CB HIS A 111 -1.954 -6.710 4.640 1.00 0.00 C ATOM 1675 CG HIS A 111 -0.544 -6.633 5.141 1.00 0.00 C ATOM 1676 ND1 HIS A 111 -0.053 -6.609 6.402 1.00 0.00 N flip ATOM 1677 CD2 HIS A 111 0.550 -6.569 4.304 1.00 0.00 C flip ATOM 1678 CE1 HIS A 111 1.314 -6.533 6.305 1.00 0.00 C flip ATOM 1679 NE2 HIS A 111 1.653 -6.510 5.029 1.00 0.00 N flip ATOM 0 H HIS A 111 -3.000 -4.403 4.440 1.00 0.00 H new ATOM 0 HA HIS A 111 -1.256 -6.009 2.733 1.00 0.00 H new ATOM 0 HB2 HIS A 111 -2.622 -6.295 5.394 1.00 0.00 H new ATOM 0 HB3 HIS A 111 -2.229 -7.757 4.512 1.00 0.00 H new ATOM 0 HD1 HIS A 111 -0.597 -6.641 7.264 1.00 0.00 H new ATOM 0 HD2 HIS A 111 0.511 -6.567 3.225 1.00 0.00 H new ATOM 0 HE1 HIS A 111 2.001 -6.498 7.137 1.00 0.00 H new ATOM 1688 N ALA A 112 -2.898 -7.364 1.469 1.00 0.00 N ATOM 1689 CA ALA A 112 -3.860 -8.063 0.626 1.00 0.00 C ATOM 1690 C ALA A 112 -3.244 -9.315 0.012 1.00 0.00 C ATOM 1691 O ALA A 112 -2.321 -9.233 -0.799 1.00 0.00 O ATOM 1692 CB ALA A 112 -4.376 -7.136 -0.466 1.00 0.00 C ATOM 0 H ALA A 112 -1.926 -7.473 1.179 1.00 0.00 H new ATOM 0 HA ALA A 112 -4.698 -8.372 1.252 1.00 0.00 H new ATOM 0 HB1 ALA A 112 -5.094 -7.671 -1.088 1.00 0.00 H new ATOM 0 HB2 ALA A 112 -4.862 -6.273 -0.011 1.00 0.00 H new ATOM 0 HB3 ALA A 112 -3.542 -6.799 -1.082 1.00 0.00 H new ATOM 1698 N THR A 113 -3.761 -10.476 0.404 1.00 0.00 N ATOM 1699 CA THR A 113 -3.260 -11.746 -0.106 1.00 0.00 C ATOM 1700 C THR A 113 -3.920 -12.105 -1.432 1.00 0.00 C ATOM 1701 O THR A 113 -5.110 -11.856 -1.634 1.00 0.00 O ATOM 1702 CB THR A 113 -3.500 -12.889 0.899 1.00 0.00 C ATOM 1703 OG1 THR A 113 -3.295 -12.417 2.236 1.00 0.00 O ATOM 1704 CG2 THR A 113 -2.569 -14.059 0.621 1.00 0.00 C ATOM 0 H THR A 113 -4.526 -10.562 1.073 1.00 0.00 H new ATOM 0 HA THR A 113 -2.188 -11.624 -0.258 1.00 0.00 H new ATOM 0 HB THR A 113 -4.529 -13.230 0.788 1.00 0.00 H new ATOM 0 HG1 THR A 113 -3.451 -13.149 2.869 1.00 0.00 H new ATOM 0 HG21 THR A 113 -2.757 -14.853 1.343 1.00 0.00 H new ATOM 0 HG22 THR A 113 -2.748 -14.435 -0.386 1.00 0.00 H new ATOM 0 HG23 THR A 113 -1.534 -13.729 0.707 1.00 0.00 H new ATOM 1712 N THR A 114 -3.142 -12.692 -2.336 1.00 0.00 N ATOM 1713 CA THR A 114 -3.651 -13.084 -3.644 1.00 0.00 C ATOM 1714 C THR A 114 -4.368 -14.427 -3.575 1.00 0.00 C ATOM 1715 O THR A 114 -4.234 -15.163 -2.597 1.00 0.00 O ATOM 1716 CB THR A 114 -2.518 -13.172 -4.684 1.00 0.00 C ATOM 1717 OG1 THR A 114 -1.425 -13.931 -4.155 1.00 0.00 O ATOM 1718 CG2 THR A 114 -2.036 -11.785 -5.078 1.00 0.00 C ATOM 0 H THR A 114 -2.156 -12.906 -2.186 1.00 0.00 H new ATOM 0 HA THR A 114 -4.358 -12.314 -3.952 1.00 0.00 H new ATOM 0 HB THR A 114 -2.908 -13.669 -5.572 1.00 0.00 H new ATOM 0 HG1 THR A 114 -0.655 -13.859 -4.757 1.00 0.00 H new ATOM 0 HG21 THR A 114 -1.236 -11.873 -5.813 1.00 0.00 H new ATOM 0 HG22 THR A 114 -2.864 -11.221 -5.508 1.00 0.00 H new ATOM 0 HG23 THR A 114 -1.662 -11.265 -4.196 1.00 0.00 H new ATOM 1726 N TYR A 115 -5.128 -14.741 -4.617 1.00 0.00 N ATOM 1727 CA TYR A 115 -5.868 -15.997 -4.674 1.00 0.00 C ATOM 1728 C TYR A 115 -4.939 -17.163 -4.997 1.00 0.00 C ATOM 1729 O TYR A 115 -3.953 -17.003 -5.716 1.00 0.00 O ATOM 1730 CB TYR A 115 -6.981 -15.911 -5.720 1.00 0.00 C ATOM 1731 CG TYR A 115 -7.967 -14.793 -5.465 1.00 0.00 C ATOM 1732 CD1 TYR A 115 -8.997 -14.945 -4.545 1.00 0.00 C ATOM 1733 CD2 TYR A 115 -7.867 -13.585 -6.144 1.00 0.00 C ATOM 1734 CE1 TYR A 115 -9.900 -13.927 -4.310 1.00 0.00 C ATOM 1735 CE2 TYR A 115 -8.766 -12.561 -5.913 1.00 0.00 C ATOM 1736 CZ TYR A 115 -9.780 -12.737 -4.996 1.00 0.00 C ATOM 1737 OH TYR A 115 -10.677 -11.720 -4.763 1.00 0.00 O ATOM 0 H TYR A 115 -5.249 -14.143 -5.435 1.00 0.00 H new ATOM 0 HA TYR A 115 -6.313 -16.172 -3.694 1.00 0.00 H new ATOM 0 HB2 TYR A 115 -6.533 -15.772 -6.704 1.00 0.00 H new ATOM 0 HB3 TYR A 115 -7.518 -16.859 -5.745 1.00 0.00 H new ATOM 0 HD1 TYR A 115 -9.093 -15.875 -4.004 1.00 0.00 H new ATOM 0 HD2 TYR A 115 -7.074 -13.444 -6.864 1.00 0.00 H new ATOM 0 HE1 TYR A 115 -10.696 -14.062 -3.593 1.00 0.00 H new ATOM 0 HE2 TYR A 115 -8.674 -11.627 -6.448 1.00 0.00 H new ATOM 0 HH TYR A 115 -10.298 -10.872 -5.075 1.00 0.00 H new ATOM 1747 N GLU A 116 -5.263 -18.335 -4.462 1.00 0.00 N ATOM 1748 CA GLU A 116 -4.458 -19.529 -4.694 1.00 0.00 C ATOM 1749 C GLU A 116 -4.542 -19.968 -6.153 1.00 0.00 C ATOM 1750 O GLU A 116 -5.573 -20.468 -6.602 1.00 0.00 O ATOM 1751 CB GLU A 116 -4.917 -20.667 -3.780 1.00 0.00 C ATOM 1752 CG GLU A 116 -3.803 -21.624 -3.391 1.00 0.00 C ATOM 1753 CD GLU A 116 -4.285 -22.749 -2.497 1.00 0.00 C ATOM 1754 OE1 GLU A 116 -4.841 -23.733 -3.027 1.00 0.00 O ATOM 1755 OE2 GLU A 116 -4.107 -22.644 -1.265 1.00 0.00 O ATOM 0 H GLU A 116 -6.077 -18.484 -3.865 1.00 0.00 H new ATOM 0 HA GLU A 116 -3.420 -19.285 -4.466 1.00 0.00 H new ATOM 0 HB2 GLU A 116 -5.351 -20.242 -2.875 1.00 0.00 H new ATOM 0 HB3 GLU A 116 -5.707 -21.227 -4.280 1.00 0.00 H new ATOM 0 HG2 GLU A 116 -3.361 -22.046 -4.293 1.00 0.00 H new ATOM 0 HG3 GLU A 116 -3.016 -21.070 -2.879 1.00 0.00 H new ATOM 1762 N ALA A 117 -3.451 -19.776 -6.886 1.00 0.00 N ATOM 1763 CA ALA A 117 -3.401 -20.153 -8.294 1.00 0.00 C ATOM 1764 C ALA A 117 -4.172 -21.444 -8.544 1.00 0.00 C ATOM 1765 O ALA A 117 -4.271 -22.300 -7.665 1.00 0.00 O ATOM 1766 CB ALA A 117 -1.957 -20.302 -8.749 1.00 0.00 C ATOM 0 H ALA A 117 -2.590 -19.362 -6.529 1.00 0.00 H new ATOM 0 HA ALA A 117 -3.873 -19.360 -8.874 1.00 0.00 H new ATOM 0 HB1 ALA A 117 -1.934 -20.584 -9.802 1.00 0.00 H new ATOM 0 HB2 ALA A 117 -1.434 -19.355 -8.615 1.00 0.00 H new ATOM 0 HB3 ALA A 117 -1.467 -21.074 -8.156 1.00 0.00 H new