USER MOD reduce.3.24.130724 H: found=0, std=0, add=575, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 577 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 54 SER OG : rot 180:sc= 0 USER MOD Set 1.2: A 57 GLN : amide:sc= -2.44! C(o=-2.4!,f=-3.3!) USER MOD Set 2.1: A 48 CYS SG : rot 2:sc= -0.69! USER MOD Set 2.2: A 55 MET CE :methyl -128:sc= -0.631 (180deg=-1.32) USER MOD Set 3.1: A 28 SER OG : rot -149:sc= 1.22 USER MOD Set 3.2: A 51 GLN : amide:sc= -0.157 K(o=1.1,f=-2.1!) USER MOD Single : A 17 HIS : no HD1:sc= 0 X(o=0,f=-0.025) USER MOD Single : A 19 ASN : amide:sc= -2.26 K(o=-2.3,f=-7.9!) USER MOD Single : A 21 LYS NZ :NH3+ 175:sc= 1.13 (180deg=1.04) USER MOD Single : A 25 GLN : amide:sc= 0.424 X(o=0.42,f=0) USER MOD Single : A 31 GLN :FLIP amide:sc= -0.0918 F(o=-1,f=-0.092) USER MOD Single : A 35 LYS NZ :NH3+ -163:sc= -0.0374 (180deg=-0.33) USER MOD Single : A 37 HIS : no HD1:sc= -0.11 X(o=-0.11,f=-0.097) USER MOD Single : A 38 THR OG1 : rot 30:sc= -1.45! USER MOD Single : A 41 SER OG : rot -121:sc= -0.352 USER MOD Single : A 42 LYS NZ :NH3+ 174:sc= 0 (180deg=-0.039) USER MOD Single : A 44 MET CE :methyl 173:sc= -0.668 (180deg=-0.943) USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 TYR OH : rot 180:sc= -0.212 USER MOD Single : A 65 GLN :FLIP amide:sc= -0.79 F(o=-2!,f=-0.79) USER MOD Single : A 68 ASN : amide:sc= 0.956 K(o=0.96,f=-0.65) USER MOD Single : A 70 THR OG1 : rot -31:sc= 1.02 USER MOD Single : A 72 THR OG1 : rot 180:sc= 0 USER MOD Single : A 75 GLN : amide:sc= -4.22! C(o=-4.2!,f=-8.1!) USER MOD Single : A 78 MET CE :methyl -168:sc= -0.8 (180deg=-1.03) USER MOD Single : A 83 THR OG1 : rot 180:sc= 0 USER MOD Single : A 88 GLN :FLIP amide:sc= -0.309 F(o=-2.4!,f=-0.31) USER MOD Single : A 89 GLN : amide:sc= -0.619 X(o=-0.62,f=-0.76) USER MOD ----------------------------------------------------------------- ATOM 242 N HIS A 17 -0.968 15.708 1.169 1.00 0.00 N ATOM 243 CA HIS A 17 -0.758 14.281 1.248 1.00 0.00 C ATOM 244 C HIS A 17 -2.063 13.564 1.524 1.00 0.00 C ATOM 245 O HIS A 17 -2.985 14.131 2.103 1.00 0.00 O ATOM 246 CB HIS A 17 0.296 13.940 2.317 1.00 0.00 C ATOM 247 CG HIS A 17 -0.092 14.306 3.722 1.00 0.00 C ATOM 248 ND1 HIS A 17 -0.010 15.591 4.219 1.00 0.00 N ATOM 249 CD2 HIS A 17 -0.556 13.542 4.738 1.00 0.00 C ATOM 250 CE1 HIS A 17 -0.402 15.599 5.475 1.00 0.00 C ATOM 251 NE2 HIS A 17 -0.741 14.370 5.817 1.00 0.00 N ATOM 0 HA HIS A 17 -0.380 13.938 0.285 1.00 0.00 H new ATOM 0 HB2 HIS A 17 0.500 12.870 2.278 1.00 0.00 H new ATOM 0 HB3 HIS A 17 1.226 14.451 2.067 1.00 0.00 H new ATOM 0 HD2 HIS A 17 -0.745 12.479 4.706 1.00 0.00 H new ATOM 0 HE1 HIS A 17 -0.440 16.466 6.118 1.00 0.00 H new ATOM 0 HE2 HIS A 17 -1.084 14.083 6.733 1.00 0.00 H new ATOM 260 N ILE A 18 -2.140 12.318 1.123 1.00 0.00 N ATOM 261 CA ILE A 18 -3.349 11.543 1.292 1.00 0.00 C ATOM 262 C ILE A 18 -3.043 10.191 1.908 1.00 0.00 C ATOM 263 O ILE A 18 -1.884 9.789 2.030 1.00 0.00 O ATOM 264 CB ILE A 18 -4.096 11.326 -0.050 1.00 0.00 C ATOM 265 CG1 ILE A 18 -3.171 10.656 -1.073 1.00 0.00 C ATOM 266 CG2 ILE A 18 -4.638 12.647 -0.588 1.00 0.00 C ATOM 267 CD1 ILE A 18 -3.875 10.203 -2.335 1.00 0.00 C ATOM 0 H ILE A 18 -1.375 11.815 0.674 1.00 0.00 H new ATOM 0 HA ILE A 18 -3.993 12.116 1.959 1.00 0.00 H new ATOM 0 HB ILE A 18 -4.944 10.665 0.130 1.00 0.00 H new ATOM 0 HG12 ILE A 18 -2.378 11.353 -1.342 1.00 0.00 H new ATOM 0 HG13 ILE A 18 -2.693 9.795 -0.606 1.00 0.00 H new ATOM 0 HG21 ILE A 18 -5.158 12.470 -1.530 1.00 0.00 H new ATOM 0 HG22 ILE A 18 -5.332 13.077 0.135 1.00 0.00 H new ATOM 0 HG23 ILE A 18 -3.812 13.339 -0.754 1.00 0.00 H new ATOM 0 HD11 ILE A 18 -3.153 9.739 -3.008 1.00 0.00 H new ATOM 0 HD12 ILE A 18 -4.650 9.480 -2.080 1.00 0.00 H new ATOM 0 HD13 ILE A 18 -4.329 11.063 -2.827 1.00 0.00 H new ATOM 279 N ASN A 19 -4.079 9.499 2.302 1.00 0.00 N ATOM 280 CA ASN A 19 -3.952 8.171 2.859 1.00 0.00 C ATOM 281 C ASN A 19 -4.359 7.158 1.815 1.00 0.00 C ATOM 282 O ASN A 19 -5.291 7.386 1.063 1.00 0.00 O ATOM 283 CB ASN A 19 -4.842 8.030 4.108 1.00 0.00 C ATOM 284 CG ASN A 19 -4.878 6.613 4.673 1.00 0.00 C ATOM 285 OD1 ASN A 19 -5.692 5.795 4.264 1.00 0.00 O ATOM 286 ND2 ASN A 19 -4.013 6.324 5.623 1.00 0.00 N ATOM 0 H ASN A 19 -5.039 9.838 2.247 1.00 0.00 H new ATOM 0 HA ASN A 19 -2.917 7.998 3.153 1.00 0.00 H new ATOM 0 HB2 ASN A 19 -4.482 8.711 4.879 1.00 0.00 H new ATOM 0 HB3 ASN A 19 -5.857 8.339 3.858 1.00 0.00 H new ATOM 0 HD21 ASN A 19 -4.007 5.394 6.042 1.00 0.00 H new ATOM 0 HD22 ASN A 19 -3.349 7.030 5.940 1.00 0.00 H new ATOM 293 N LEU A 20 -3.649 6.071 1.731 1.00 0.00 N ATOM 294 CA LEU A 20 -3.992 5.017 0.799 1.00 0.00 C ATOM 295 C LEU A 20 -4.099 3.711 1.536 1.00 0.00 C ATOM 296 O LEU A 20 -3.289 3.413 2.408 1.00 0.00 O ATOM 297 CB LEU A 20 -2.962 4.894 -0.342 1.00 0.00 C ATOM 298 CG LEU A 20 -2.935 6.030 -1.383 1.00 0.00 C ATOM 299 CD1 LEU A 20 -4.333 6.349 -1.887 1.00 0.00 C ATOM 300 CD2 LEU A 20 -2.260 7.267 -0.823 1.00 0.00 C ATOM 0 H LEU A 20 -2.822 5.883 2.297 1.00 0.00 H new ATOM 0 HA LEU A 20 -4.950 5.271 0.346 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -1.970 4.818 0.103 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -3.148 3.957 -0.867 1.00 0.00 H new ATOM 0 HG LEU A 20 -2.348 5.686 -2.234 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -4.281 7.154 -2.620 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -4.763 5.462 -2.352 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -4.959 6.660 -1.051 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -2.255 8.052 -1.579 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -2.805 7.612 0.056 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -1.234 7.027 -0.543 1.00 0.00 H new ATOM 312 N LYS A 21 -5.107 2.941 1.224 1.00 0.00 N ATOM 313 CA LYS A 21 -5.298 1.661 1.856 1.00 0.00 C ATOM 314 C LYS A 21 -5.372 0.584 0.804 1.00 0.00 C ATOM 315 O LYS A 21 -5.993 0.758 -0.226 1.00 0.00 O ATOM 316 CB LYS A 21 -6.556 1.675 2.730 1.00 0.00 C ATOM 317 CG LYS A 21 -6.498 2.730 3.825 1.00 0.00 C ATOM 318 CD LYS A 21 -7.706 2.676 4.756 1.00 0.00 C ATOM 319 CE LYS A 21 -8.978 3.085 4.044 1.00 0.00 C ATOM 320 NZ LYS A 21 -10.098 3.334 4.992 1.00 0.00 N ATOM 0 H LYS A 21 -5.815 3.180 0.530 1.00 0.00 H new ATOM 0 HA LYS A 21 -4.450 1.450 2.507 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -7.428 1.857 2.102 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -6.689 0.693 3.184 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -5.588 2.593 4.409 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -6.439 3.718 3.369 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -7.818 1.666 5.150 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -7.538 3.334 5.609 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -8.792 3.986 3.460 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -9.266 2.303 3.341 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -10.922 3.692 4.469 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -10.351 2.446 5.471 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -9.804 4.038 5.699 1.00 0.00 H new ATOM 334 N VAL A 22 -4.754 -0.535 1.062 1.00 0.00 N ATOM 335 CA VAL A 22 -4.692 -1.600 0.079 1.00 0.00 C ATOM 336 C VAL A 22 -5.237 -2.886 0.671 1.00 0.00 C ATOM 337 O VAL A 22 -4.834 -3.298 1.754 1.00 0.00 O ATOM 338 CB VAL A 22 -3.246 -1.837 -0.428 1.00 0.00 C ATOM 339 CG1 VAL A 22 -3.198 -2.920 -1.467 1.00 0.00 C ATOM 340 CG2 VAL A 22 -2.606 -0.571 -0.936 1.00 0.00 C ATOM 0 H VAL A 22 -4.283 -0.741 1.943 1.00 0.00 H new ATOM 0 HA VAL A 22 -5.301 -1.294 -0.772 1.00 0.00 H new ATOM 0 HB VAL A 22 -2.664 -2.170 0.431 1.00 0.00 H new ATOM 0 HG11 VAL A 22 -2.170 -3.059 -1.800 1.00 0.00 H new ATOM 0 HG12 VAL A 22 -3.570 -3.851 -1.040 1.00 0.00 H new ATOM 0 HG13 VAL A 22 -3.819 -2.637 -2.317 1.00 0.00 H new ATOM 0 HG21 VAL A 22 -1.595 -0.787 -1.280 1.00 0.00 H new ATOM 0 HG22 VAL A 22 -3.193 -0.173 -1.763 1.00 0.00 H new ATOM 0 HG23 VAL A 22 -2.566 0.164 -0.132 1.00 0.00 H new ATOM 350 N ALA A 23 -6.135 -3.529 -0.052 1.00 0.00 N ATOM 351 CA ALA A 23 -6.769 -4.751 0.407 1.00 0.00 C ATOM 352 C ALA A 23 -6.380 -5.908 -0.505 1.00 0.00 C ATOM 353 O ALA A 23 -6.368 -5.770 -1.728 1.00 0.00 O ATOM 354 CB ALA A 23 -8.281 -4.581 0.437 1.00 0.00 C ATOM 0 H ALA A 23 -6.445 -3.219 -0.973 1.00 0.00 H new ATOM 0 HA ALA A 23 -6.428 -4.971 1.419 1.00 0.00 H new ATOM 0 HB1 ALA A 23 -8.744 -5.505 0.783 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -8.542 -3.768 1.115 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -8.641 -4.348 -0.565 1.00 0.00 H new ATOM 360 N GLY A 24 -6.049 -7.041 0.077 1.00 0.00 N ATOM 361 CA GLY A 24 -5.636 -8.177 -0.714 1.00 0.00 C ATOM 362 C GLY A 24 -6.505 -9.390 -0.496 1.00 0.00 C ATOM 363 O GLY A 24 -7.215 -9.492 0.517 1.00 0.00 O ATOM 0 H GLY A 24 -6.058 -7.198 1.085 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -5.658 -7.906 -1.769 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -4.604 -8.427 -0.470 1.00 0.00 H new ATOM 367 N GLN A 25 -6.437 -10.338 -1.430 1.00 0.00 N ATOM 368 CA GLN A 25 -7.231 -11.572 -1.356 1.00 0.00 C ATOM 369 C GLN A 25 -6.786 -12.418 -0.175 1.00 0.00 C ATOM 370 O GLN A 25 -7.444 -13.383 0.208 1.00 0.00 O ATOM 371 CB GLN A 25 -7.087 -12.389 -2.642 1.00 0.00 C ATOM 372 CG GLN A 25 -7.261 -11.588 -3.919 1.00 0.00 C ATOM 373 CD GLN A 25 -8.583 -10.855 -3.997 1.00 0.00 C ATOM 374 OE1 GLN A 25 -9.588 -11.404 -4.442 1.00 0.00 O ATOM 375 NE2 GLN A 25 -8.576 -9.600 -3.613 1.00 0.00 N ATOM 0 H GLN A 25 -5.837 -10.278 -2.253 1.00 0.00 H new ATOM 0 HA GLN A 25 -8.276 -11.289 -1.228 1.00 0.00 H new ATOM 0 HB2 GLN A 25 -6.102 -12.856 -2.652 1.00 0.00 H new ATOM 0 HB3 GLN A 25 -7.822 -13.194 -2.630 1.00 0.00 H new ATOM 0 HG2 GLN A 25 -6.449 -10.865 -3.999 1.00 0.00 H new ATOM 0 HG3 GLN A 25 -7.176 -12.259 -4.774 1.00 0.00 H new ATOM 0 HE21 GLN A 25 -7.719 -9.183 -3.249 1.00 0.00 H new ATOM 0 HE22 GLN A 25 -9.427 -9.042 -3.678 1.00 0.00 H new ATOM 384 N ASP A 26 -5.656 -12.045 0.404 1.00 0.00 N ATOM 385 CA ASP A 26 -5.095 -12.738 1.549 1.00 0.00 C ATOM 386 C ASP A 26 -5.815 -12.356 2.840 1.00 0.00 C ATOM 387 O ASP A 26 -5.401 -12.753 3.931 1.00 0.00 O ATOM 388 CB ASP A 26 -3.594 -12.440 1.673 1.00 0.00 C ATOM 389 CG ASP A 26 -2.767 -13.095 0.580 1.00 0.00 C ATOM 390 OD1 ASP A 26 -2.710 -12.550 -0.547 1.00 0.00 O ATOM 391 OD2 ASP A 26 -2.166 -14.164 0.847 1.00 0.00 O ATOM 0 H ASP A 26 -5.101 -11.249 0.090 1.00 0.00 H new ATOM 0 HA ASP A 26 -5.234 -13.807 1.390 1.00 0.00 H new ATOM 0 HB2 ASP A 26 -3.439 -11.361 1.641 1.00 0.00 H new ATOM 0 HB3 ASP A 26 -3.240 -12.784 2.645 1.00 0.00 H new ATOM 396 N GLY A 27 -6.904 -11.587 2.728 1.00 0.00 N ATOM 397 CA GLY A 27 -7.667 -11.205 3.905 1.00 0.00 C ATOM 398 C GLY A 27 -6.971 -10.174 4.763 1.00 0.00 C ATOM 399 O GLY A 27 -7.066 -10.205 5.987 1.00 0.00 O ATOM 0 H GLY A 27 -7.267 -11.225 1.846 1.00 0.00 H new ATOM 0 HA2 GLY A 27 -8.634 -10.812 3.590 1.00 0.00 H new ATOM 0 HA3 GLY A 27 -7.864 -12.093 4.505 1.00 0.00 H new ATOM 403 N SER A 28 -6.274 -9.251 4.139 1.00 0.00 N ATOM 404 CA SER A 28 -5.562 -8.240 4.883 1.00 0.00 C ATOM 405 C SER A 28 -5.605 -6.887 4.167 1.00 0.00 C ATOM 406 O SER A 28 -5.876 -6.812 2.958 1.00 0.00 O ATOM 407 CB SER A 28 -4.124 -8.693 5.120 1.00 0.00 C ATOM 408 OG SER A 28 -3.409 -7.762 5.908 1.00 0.00 O ATOM 0 H SER A 28 -6.186 -9.180 3.125 1.00 0.00 H new ATOM 0 HA SER A 28 -6.052 -8.107 5.847 1.00 0.00 H new ATOM 0 HB2 SER A 28 -4.125 -9.664 5.614 1.00 0.00 H new ATOM 0 HB3 SER A 28 -3.620 -8.823 4.162 1.00 0.00 H new ATOM 0 HG SER A 28 -2.463 -7.777 5.654 1.00 0.00 H new ATOM 414 N VAL A 29 -5.339 -5.821 4.917 1.00 0.00 N ATOM 415 CA VAL A 29 -5.358 -4.461 4.397 1.00 0.00 C ATOM 416 C VAL A 29 -4.351 -3.588 5.150 1.00 0.00 C ATOM 417 O VAL A 29 -4.201 -3.698 6.369 1.00 0.00 O ATOM 418 CB VAL A 29 -6.784 -3.837 4.486 1.00 0.00 C ATOM 419 CG1 VAL A 29 -7.361 -3.998 5.877 1.00 0.00 C ATOM 420 CG2 VAL A 29 -6.779 -2.365 4.076 1.00 0.00 C ATOM 0 H VAL A 29 -5.103 -5.879 5.908 1.00 0.00 H new ATOM 0 HA VAL A 29 -5.075 -4.503 3.345 1.00 0.00 H new ATOM 0 HB VAL A 29 -7.419 -4.377 3.784 1.00 0.00 H new ATOM 0 HG11 VAL A 29 -8.356 -3.554 5.912 1.00 0.00 H new ATOM 0 HG12 VAL A 29 -7.428 -5.058 6.123 1.00 0.00 H new ATOM 0 HG13 VAL A 29 -6.715 -3.498 6.599 1.00 0.00 H new ATOM 0 HG21 VAL A 29 -7.790 -1.963 4.150 1.00 0.00 H new ATOM 0 HG22 VAL A 29 -6.117 -1.806 4.737 1.00 0.00 H new ATOM 0 HG23 VAL A 29 -6.427 -2.275 3.048 1.00 0.00 H new ATOM 430 N VAL A 30 -3.640 -2.733 4.426 1.00 0.00 N ATOM 431 CA VAL A 30 -2.643 -1.859 5.036 1.00 0.00 C ATOM 432 C VAL A 30 -2.936 -0.406 4.702 1.00 0.00 C ATOM 433 O VAL A 30 -3.396 -0.095 3.604 1.00 0.00 O ATOM 434 CB VAL A 30 -1.215 -2.196 4.562 1.00 0.00 C ATOM 435 CG1 VAL A 30 -0.184 -1.503 5.443 1.00 0.00 C ATOM 436 CG2 VAL A 30 -0.989 -3.697 4.538 1.00 0.00 C ATOM 0 H VAL A 30 -3.734 -2.625 3.416 1.00 0.00 H new ATOM 0 HA VAL A 30 -2.700 -2.017 6.113 1.00 0.00 H new ATOM 0 HB VAL A 30 -1.098 -1.827 3.543 1.00 0.00 H new ATOM 0 HG11 VAL A 30 0.818 -1.752 5.094 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -0.329 -0.424 5.392 1.00 0.00 H new ATOM 0 HG13 VAL A 30 -0.303 -1.837 6.474 1.00 0.00 H new ATOM 0 HG21 VAL A 30 0.026 -3.907 4.200 1.00 0.00 H new ATOM 0 HG22 VAL A 30 -1.129 -4.102 5.540 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -1.702 -4.161 3.856 1.00 0.00 H new ATOM 446 N GLN A 31 -2.707 0.483 5.662 1.00 0.00 N ATOM 447 CA GLN A 31 -2.930 1.904 5.457 1.00 0.00 C ATOM 448 C GLN A 31 -1.597 2.662 5.359 1.00 0.00 C ATOM 449 O GLN A 31 -0.645 2.362 6.078 1.00 0.00 O ATOM 450 CB GLN A 31 -3.785 2.486 6.594 1.00 0.00 C ATOM 451 CG GLN A 31 -5.128 1.785 6.824 1.00 0.00 C ATOM 452 CD GLN A 31 -5.053 0.591 7.764 1.00 0.00 C ATOM 453 OE1 GLN A 31 -4.934 -0.599 7.210 1.00 0.00 O flip ATOM 454 NE2 GLN A 31 -5.147 0.742 8.975 1.00 0.00 N flip ATOM 0 H GLN A 31 -2.366 0.241 6.592 1.00 0.00 H new ATOM 0 HA GLN A 31 -3.466 2.026 4.516 1.00 0.00 H new ATOM 0 HB2 GLN A 31 -3.209 2.445 7.518 1.00 0.00 H new ATOM 0 HB3 GLN A 31 -3.974 3.539 6.383 1.00 0.00 H new ATOM 0 HG2 GLN A 31 -5.838 2.507 7.227 1.00 0.00 H new ATOM 0 HG3 GLN A 31 -5.522 1.453 5.863 1.00 0.00 H new ATOM 0 HE21 GLN A 31 -5.238 1.679 9.367 1.00 0.00 H new ATOM 0 HE22 GLN A 31 -5.135 -0.070 9.593 1.00 0.00 H new ATOM 463 N PHE A 32 -1.532 3.650 4.462 1.00 0.00 N ATOM 464 CA PHE A 32 -0.304 4.428 4.243 1.00 0.00 C ATOM 465 C PHE A 32 -0.610 5.925 4.143 1.00 0.00 C ATOM 466 O PHE A 32 -1.708 6.320 3.765 1.00 0.00 O ATOM 467 CB PHE A 32 0.383 3.988 2.938 1.00 0.00 C ATOM 468 CG PHE A 32 0.493 2.503 2.754 1.00 0.00 C ATOM 469 CD1 PHE A 32 -0.565 1.780 2.225 1.00 0.00 C ATOM 470 CD2 PHE A 32 1.654 1.831 3.097 1.00 0.00 C ATOM 471 CE1 PHE A 32 -0.472 0.422 2.044 1.00 0.00 C ATOM 472 CE2 PHE A 32 1.753 0.465 2.919 1.00 0.00 C ATOM 473 CZ PHE A 32 0.685 -0.240 2.390 1.00 0.00 C ATOM 0 H PHE A 32 -2.316 3.932 3.873 1.00 0.00 H new ATOM 0 HA PHE A 32 0.352 4.247 5.094 1.00 0.00 H new ATOM 0 HB2 PHE A 32 -0.169 4.404 2.095 1.00 0.00 H new ATOM 0 HB3 PHE A 32 1.384 4.419 2.908 1.00 0.00 H new ATOM 0 HD1 PHE A 32 -1.476 2.292 1.951 1.00 0.00 H new ATOM 0 HD2 PHE A 32 2.489 2.380 3.507 1.00 0.00 H new ATOM 0 HE1 PHE A 32 -1.305 -0.126 1.631 1.00 0.00 H new ATOM 0 HE2 PHE A 32 2.661 -0.052 3.192 1.00 0.00 H new ATOM 0 HZ PHE A 32 0.759 -1.308 2.249 1.00 0.00 H new ATOM 509 N ILE A 34 1.041 9.128 2.268 1.00 0.00 N ATOM 510 CA ILE A 34 2.036 9.635 1.329 1.00 0.00 C ATOM 511 C ILE A 34 1.493 10.839 0.589 1.00 0.00 C ATOM 512 O ILE A 34 0.293 11.122 0.627 1.00 0.00 O ATOM 513 CB ILE A 34 2.456 8.561 0.282 1.00 0.00 C ATOM 514 CG1 ILE A 34 1.304 8.261 -0.683 1.00 0.00 C ATOM 515 CG2 ILE A 34 2.910 7.280 0.977 1.00 0.00 C ATOM 516 CD1 ILE A 34 1.699 7.389 -1.856 1.00 0.00 C ATOM 0 HA ILE A 34 2.912 9.910 1.917 1.00 0.00 H new ATOM 0 HB ILE A 34 3.292 8.960 -0.293 1.00 0.00 H new ATOM 0 HG12 ILE A 34 0.500 7.771 -0.133 1.00 0.00 H new ATOM 0 HG13 ILE A 34 0.905 9.202 -1.061 1.00 0.00 H new ATOM 0 HG21 ILE A 34 3.199 6.543 0.228 1.00 0.00 H new ATOM 0 HG22 ILE A 34 3.763 7.498 1.620 1.00 0.00 H new ATOM 0 HG23 ILE A 34 2.093 6.884 1.580 1.00 0.00 H new ATOM 0 HD11 ILE A 34 0.831 7.221 -2.493 1.00 0.00 H new ATOM 0 HD12 ILE A 34 2.481 7.885 -2.431 1.00 0.00 H new ATOM 0 HD13 ILE A 34 2.070 6.432 -1.489 1.00 0.00 H new ATOM 528 N LYS A 35 2.362 11.562 -0.083 1.00 0.00 N ATOM 529 CA LYS A 35 1.936 12.692 -0.867 1.00 0.00 C ATOM 530 C LYS A 35 1.289 12.208 -2.146 1.00 0.00 C ATOM 531 O LYS A 35 1.763 11.264 -2.769 1.00 0.00 O ATOM 532 CB LYS A 35 3.116 13.604 -1.196 1.00 0.00 C ATOM 533 CG LYS A 35 3.729 14.287 0.011 1.00 0.00 C ATOM 534 CD LYS A 35 4.902 15.163 -0.396 1.00 0.00 C ATOM 535 CE LYS A 35 6.113 14.339 -0.819 1.00 0.00 C ATOM 536 NZ LYS A 35 6.640 13.515 0.296 1.00 0.00 N ATOM 0 H LYS A 35 3.366 11.385 -0.100 1.00 0.00 H new ATOM 0 HA LYS A 35 1.214 13.264 -0.285 1.00 0.00 H new ATOM 0 HB2 LYS A 35 3.886 13.017 -1.697 1.00 0.00 H new ATOM 0 HB3 LYS A 35 2.786 14.366 -1.902 1.00 0.00 H new ATOM 0 HG2 LYS A 35 2.975 14.893 0.512 1.00 0.00 H new ATOM 0 HG3 LYS A 35 4.063 13.536 0.728 1.00 0.00 H new ATOM 0 HD2 LYS A 35 4.601 15.812 -1.218 1.00 0.00 H new ATOM 0 HD3 LYS A 35 5.177 15.810 0.437 1.00 0.00 H new ATOM 0 HE2 LYS A 35 5.838 13.690 -1.651 1.00 0.00 H new ATOM 0 HE3 LYS A 35 6.897 15.005 -1.180 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 7.605 13.201 0.069 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 6.656 14.081 1.168 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 6.029 12.685 0.433 1.00 0.00 H new ATOM 550 N ARG A 36 0.208 12.851 -2.553 1.00 0.00 N ATOM 551 CA ARG A 36 -0.479 12.466 -3.783 1.00 0.00 C ATOM 552 C ARG A 36 0.369 12.805 -4.998 1.00 0.00 C ATOM 553 O ARG A 36 0.098 12.367 -6.108 1.00 0.00 O ATOM 554 CB ARG A 36 -1.862 13.133 -3.873 1.00 0.00 C ATOM 555 CG ARG A 36 -1.838 14.648 -3.766 1.00 0.00 C ATOM 556 CD ARG A 36 -1.577 15.314 -5.107 1.00 0.00 C ATOM 557 NE ARG A 36 -1.525 16.759 -4.982 1.00 0.00 N ATOM 558 CZ ARG A 36 -1.228 17.595 -5.970 1.00 0.00 C ATOM 559 NH1 ARG A 36 -0.960 17.125 -7.187 1.00 0.00 N ATOM 560 NH2 ARG A 36 -1.214 18.900 -5.745 1.00 0.00 N ATOM 0 H ARG A 36 -0.214 13.636 -2.057 1.00 0.00 H new ATOM 0 HA ARG A 36 -0.630 11.387 -3.765 1.00 0.00 H new ATOM 0 HB2 ARG A 36 -2.324 12.855 -4.820 1.00 0.00 H new ATOM 0 HB3 ARG A 36 -2.496 12.735 -3.080 1.00 0.00 H new ATOM 0 HG2 ARG A 36 -2.791 14.998 -3.368 1.00 0.00 H new ATOM 0 HG3 ARG A 36 -1.067 14.948 -3.057 1.00 0.00 H new ATOM 0 HD2 ARG A 36 -0.636 14.949 -5.519 1.00 0.00 H new ATOM 0 HD3 ARG A 36 -2.362 15.037 -5.811 1.00 0.00 H new ATOM 0 HE ARG A 36 -1.732 17.162 -4.068 1.00 0.00 H new ATOM 0 HH11 ARG A 36 -0.983 16.120 -7.362 1.00 0.00 H new ATOM 0 HH12 ARG A 36 -0.732 17.770 -7.944 1.00 0.00 H new ATOM 0 HH21 ARG A 36 -1.431 19.260 -4.815 1.00 0.00 H new ATOM 0 HH22 ARG A 36 -0.986 19.545 -6.501 1.00 0.00 H new ATOM 574 N HIS A 37 1.412 13.580 -4.776 1.00 0.00 N ATOM 575 CA HIS A 37 2.315 13.980 -5.833 1.00 0.00 C ATOM 576 C HIS A 37 3.558 13.073 -5.783 1.00 0.00 C ATOM 577 O HIS A 37 4.503 13.220 -6.546 1.00 0.00 O ATOM 578 CB HIS A 37 2.677 15.476 -5.661 1.00 0.00 C ATOM 579 CG HIS A 37 3.590 16.050 -6.719 1.00 0.00 C ATOM 580 ND1 HIS A 37 4.501 17.051 -6.458 1.00 0.00 N ATOM 581 CD2 HIS A 37 3.712 15.773 -8.043 1.00 0.00 C ATOM 582 CE1 HIS A 37 5.141 17.362 -7.569 1.00 0.00 C ATOM 583 NE2 HIS A 37 4.682 16.601 -8.543 1.00 0.00 N ATOM 0 H HIS A 37 1.656 13.949 -3.857 1.00 0.00 H new ATOM 0 HA HIS A 37 1.848 13.868 -6.812 1.00 0.00 H new ATOM 0 HB2 HIS A 37 1.754 16.056 -5.649 1.00 0.00 H new ATOM 0 HB3 HIS A 37 3.150 15.608 -4.688 1.00 0.00 H new ATOM 0 HD2 HIS A 37 3.149 15.037 -8.598 1.00 0.00 H new ATOM 0 HE1 HIS A 37 5.911 18.113 -7.665 1.00 0.00 H new ATOM 0 HE2 HIS A 37 4.998 16.625 -9.512 1.00 0.00 H new ATOM 592 N THR A 38 3.517 12.126 -4.861 1.00 0.00 N ATOM 593 CA THR A 38 4.567 11.150 -4.664 1.00 0.00 C ATOM 594 C THR A 38 4.139 9.795 -5.258 1.00 0.00 C ATOM 595 O THR A 38 2.963 9.438 -5.198 1.00 0.00 O ATOM 596 CB THR A 38 4.876 11.022 -3.139 1.00 0.00 C ATOM 597 OG1 THR A 38 5.980 11.865 -2.787 1.00 0.00 O ATOM 598 CG2 THR A 38 5.150 9.582 -2.704 1.00 0.00 C ATOM 0 H THR A 38 2.734 12.015 -4.216 1.00 0.00 H new ATOM 0 HA THR A 38 5.473 11.473 -5.176 1.00 0.00 H new ATOM 0 HB THR A 38 3.981 11.345 -2.607 1.00 0.00 H new ATOM 0 HG1 THR A 38 5.998 12.645 -3.380 1.00 0.00 H new ATOM 0 HG21 THR A 38 5.358 9.558 -1.634 1.00 0.00 H new ATOM 0 HG22 THR A 38 4.277 8.965 -2.918 1.00 0.00 H new ATOM 0 HG23 THR A 38 6.010 9.195 -3.250 1.00 0.00 H new ATOM 606 N PRO A 39 5.087 9.040 -5.857 1.00 0.00 N ATOM 607 CA PRO A 39 4.793 7.740 -6.474 1.00 0.00 C ATOM 608 C PRO A 39 4.244 6.725 -5.468 1.00 0.00 C ATOM 609 O PRO A 39 4.819 6.505 -4.396 1.00 0.00 O ATOM 610 CB PRO A 39 6.156 7.277 -7.011 1.00 0.00 C ATOM 611 CG PRO A 39 7.154 8.059 -6.234 1.00 0.00 C ATOM 612 CD PRO A 39 6.512 9.388 -5.972 1.00 0.00 C ATOM 0 HA PRO A 39 4.024 7.824 -7.242 1.00 0.00 H new ATOM 0 HB2 PRO A 39 6.295 6.205 -6.868 1.00 0.00 H new ATOM 0 HB3 PRO A 39 6.247 7.470 -8.080 1.00 0.00 H new ATOM 0 HG2 PRO A 39 7.406 7.555 -5.301 1.00 0.00 H new ATOM 0 HG3 PRO A 39 8.082 8.176 -6.794 1.00 0.00 H new ATOM 0 HD2 PRO A 39 6.892 9.849 -5.060 1.00 0.00 H new ATOM 0 HD3 PRO A 39 6.693 10.092 -6.784 1.00 0.00 H new ATOM 620 N LEU A 40 3.135 6.093 -5.824 1.00 0.00 N ATOM 621 CA LEU A 40 2.489 5.108 -4.963 1.00 0.00 C ATOM 622 C LEU A 40 3.306 3.817 -4.854 1.00 0.00 C ATOM 623 O LEU A 40 3.074 2.995 -3.968 1.00 0.00 O ATOM 624 CB LEU A 40 1.044 4.827 -5.419 1.00 0.00 C ATOM 625 CG LEU A 40 0.815 4.653 -6.929 1.00 0.00 C ATOM 626 CD1 LEU A 40 1.482 3.395 -7.454 1.00 0.00 C ATOM 627 CD2 LEU A 40 -0.671 4.637 -7.238 1.00 0.00 C ATOM 0 H LEU A 40 2.658 6.246 -6.713 1.00 0.00 H new ATOM 0 HA LEU A 40 2.442 5.538 -3.962 1.00 0.00 H new ATOM 0 HB2 LEU A 40 0.699 3.923 -4.917 1.00 0.00 H new ATOM 0 HB3 LEU A 40 0.413 5.645 -5.072 1.00 0.00 H new ATOM 0 HG LEU A 40 1.272 5.503 -7.436 1.00 0.00 H new ATOM 0 HD11 LEU A 40 1.298 3.306 -8.525 1.00 0.00 H new ATOM 0 HD12 LEU A 40 2.556 3.450 -7.273 1.00 0.00 H new ATOM 0 HD13 LEU A 40 1.072 2.525 -6.942 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -0.818 4.513 -8.311 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -1.144 3.810 -6.709 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -1.120 5.577 -6.916 1.00 0.00 H new ATOM 639 N SER A 41 4.254 3.637 -5.772 1.00 0.00 N ATOM 640 CA SER A 41 5.117 2.458 -5.803 1.00 0.00 C ATOM 641 C SER A 41 5.774 2.197 -4.445 1.00 0.00 C ATOM 642 O SER A 41 6.048 1.047 -4.083 1.00 0.00 O ATOM 643 CB SER A 41 6.181 2.649 -6.873 1.00 0.00 C ATOM 644 OG SER A 41 6.291 4.024 -7.223 1.00 0.00 O ATOM 0 H SER A 41 4.446 4.307 -6.517 1.00 0.00 H new ATOM 0 HA SER A 41 4.503 1.588 -6.037 1.00 0.00 H new ATOM 0 HB2 SER A 41 7.141 2.282 -6.510 1.00 0.00 H new ATOM 0 HB3 SER A 41 5.928 2.062 -7.756 1.00 0.00 H new ATOM 0 HG SER A 41 6.111 4.133 -8.180 1.00 0.00 H new ATOM 650 N LYS A 42 6.001 3.265 -3.688 1.00 0.00 N ATOM 651 CA LYS A 42 6.598 3.165 -2.370 1.00 0.00 C ATOM 652 C LYS A 42 5.713 2.321 -1.448 1.00 0.00 C ATOM 653 O LYS A 42 6.183 1.398 -0.781 1.00 0.00 O ATOM 654 CB LYS A 42 6.790 4.564 -1.774 1.00 0.00 C ATOM 655 CG LYS A 42 7.689 5.471 -2.607 1.00 0.00 C ATOM 656 CD LYS A 42 7.666 6.910 -2.101 1.00 0.00 C ATOM 657 CE LYS A 42 8.199 7.032 -0.677 1.00 0.00 C ATOM 658 NZ LYS A 42 9.646 6.709 -0.589 1.00 0.00 N ATOM 0 H LYS A 42 5.776 4.218 -3.973 1.00 0.00 H new ATOM 0 HA LYS A 42 7.570 2.681 -2.462 1.00 0.00 H new ATOM 0 HB2 LYS A 42 5.815 5.038 -1.663 1.00 0.00 H new ATOM 0 HB3 LYS A 42 7.214 4.468 -0.774 1.00 0.00 H new ATOM 0 HG2 LYS A 42 8.711 5.093 -2.581 1.00 0.00 H new ATOM 0 HG3 LYS A 42 7.366 5.446 -3.648 1.00 0.00 H new ATOM 0 HD2 LYS A 42 8.263 7.536 -2.765 1.00 0.00 H new ATOM 0 HD3 LYS A 42 6.645 7.289 -2.138 1.00 0.00 H new ATOM 0 HE2 LYS A 42 8.032 8.046 -0.314 1.00 0.00 H new ATOM 0 HE3 LYS A 42 7.639 6.364 -0.023 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 9.987 6.903 0.374 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 9.791 5.704 -0.812 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 10.174 7.294 -1.267 1.00 0.00 H new ATOM 672 N LEU A 43 4.419 2.620 -1.439 1.00 0.00 N ATOM 673 CA LEU A 43 3.481 1.909 -0.585 1.00 0.00 C ATOM 674 C LEU A 43 3.217 0.507 -1.120 1.00 0.00 C ATOM 675 O LEU A 43 2.991 -0.427 -0.354 1.00 0.00 O ATOM 676 CB LEU A 43 2.156 2.703 -0.430 1.00 0.00 C ATOM 677 CG LEU A 43 1.170 2.658 -1.611 1.00 0.00 C ATOM 678 CD1 LEU A 43 0.250 1.444 -1.516 1.00 0.00 C ATOM 679 CD2 LEU A 43 0.354 3.936 -1.673 1.00 0.00 C ATOM 0 H LEU A 43 3.998 3.350 -2.014 1.00 0.00 H new ATOM 0 HA LEU A 43 3.931 1.814 0.403 1.00 0.00 H new ATOM 0 HB2 LEU A 43 1.640 2.331 0.456 1.00 0.00 H new ATOM 0 HB3 LEU A 43 2.407 3.746 -0.238 1.00 0.00 H new ATOM 0 HG LEU A 43 1.752 2.570 -2.529 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -0.435 1.439 -2.364 1.00 0.00 H new ATOM 0 HD12 LEU A 43 0.848 0.533 -1.528 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -0.321 1.492 -0.589 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -0.337 3.886 -2.514 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -0.209 4.054 -0.747 1.00 0.00 H new ATOM 0 HD23 LEU A 43 1.021 4.788 -1.802 1.00 0.00 H new ATOM 691 N MET A 44 3.256 0.351 -2.444 1.00 0.00 N ATOM 692 CA MET A 44 2.999 -0.947 -3.057 1.00 0.00 C ATOM 693 C MET A 44 4.039 -1.966 -2.630 1.00 0.00 C ATOM 694 O MET A 44 3.705 -3.065 -2.183 1.00 0.00 O ATOM 695 CB MET A 44 2.941 -0.857 -4.585 1.00 0.00 C ATOM 696 CG MET A 44 1.797 -0.005 -5.113 1.00 0.00 C ATOM 697 SD MET A 44 1.384 -0.379 -6.833 1.00 0.00 S ATOM 698 CE MET A 44 2.951 -0.098 -7.647 1.00 0.00 C ATOM 0 H MET A 44 3.461 1.101 -3.104 1.00 0.00 H new ATOM 0 HA MET A 44 2.021 -1.276 -2.706 1.00 0.00 H new ATOM 0 HB2 MET A 44 3.883 -0.448 -4.950 1.00 0.00 H new ATOM 0 HB3 MET A 44 2.850 -1.863 -4.994 1.00 0.00 H new ATOM 0 HG2 MET A 44 0.916 -0.161 -4.490 1.00 0.00 H new ATOM 0 HG3 MET A 44 2.065 1.048 -5.029 1.00 0.00 H new ATOM 0 HE1 MET A 44 2.880 -0.409 -8.689 1.00 0.00 H new ATOM 0 HE2 MET A 44 3.200 0.962 -7.600 1.00 0.00 H new ATOM 0 HE3 MET A 44 3.729 -0.676 -7.148 1.00 0.00 H new ATOM 708 N LYS A 45 5.309 -1.606 -2.751 1.00 0.00 N ATOM 709 CA LYS A 45 6.370 -2.498 -2.339 1.00 0.00 C ATOM 710 C LYS A 45 6.363 -2.697 -0.837 1.00 0.00 C ATOM 711 O LYS A 45 6.643 -3.785 -0.348 1.00 0.00 O ATOM 712 CB LYS A 45 7.726 -2.005 -2.813 1.00 0.00 C ATOM 713 CG LYS A 45 7.896 -2.116 -4.313 1.00 0.00 C ATOM 714 CD LYS A 45 9.351 -2.047 -4.717 1.00 0.00 C ATOM 715 CE LYS A 45 9.524 -2.392 -6.182 1.00 0.00 C ATOM 716 NZ LYS A 45 10.941 -2.267 -6.624 1.00 0.00 N ATOM 0 H LYS A 45 5.622 -0.711 -3.128 1.00 0.00 H new ATOM 0 HA LYS A 45 6.186 -3.464 -2.809 1.00 0.00 H new ATOM 0 HB2 LYS A 45 7.855 -0.965 -2.513 1.00 0.00 H new ATOM 0 HB3 LYS A 45 8.510 -2.579 -2.319 1.00 0.00 H new ATOM 0 HG2 LYS A 45 7.466 -3.056 -4.659 1.00 0.00 H new ATOM 0 HG3 LYS A 45 7.344 -1.314 -4.802 1.00 0.00 H new ATOM 0 HD2 LYS A 45 9.738 -1.046 -4.527 1.00 0.00 H new ATOM 0 HD3 LYS A 45 9.935 -2.735 -4.106 1.00 0.00 H new ATOM 0 HE2 LYS A 45 9.179 -3.411 -6.357 1.00 0.00 H new ATOM 0 HE3 LYS A 45 8.897 -1.735 -6.785 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 11.013 -2.512 -7.632 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 11.264 -1.289 -6.482 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 11.537 -2.913 -6.067 1.00 0.00 H new ATOM 730 N ALA A 46 5.993 -1.659 -0.101 1.00 0.00 N ATOM 731 CA ALA A 46 5.933 -1.746 1.346 1.00 0.00 C ATOM 732 C ALA A 46 4.863 -2.746 1.762 1.00 0.00 C ATOM 733 O ALA A 46 5.023 -3.482 2.735 1.00 0.00 O ATOM 734 CB ALA A 46 5.656 -0.384 1.955 1.00 0.00 C ATOM 0 H ALA A 46 5.731 -0.750 -0.483 1.00 0.00 H new ATOM 0 HA ALA A 46 6.899 -2.090 1.715 1.00 0.00 H new ATOM 0 HB1 ALA A 46 5.615 -0.472 3.041 1.00 0.00 H new ATOM 0 HB2 ALA A 46 6.451 0.307 1.677 1.00 0.00 H new ATOM 0 HB3 ALA A 46 4.702 -0.007 1.585 1.00 0.00 H new ATOM 740 N TYR A 47 3.770 -2.786 1.001 1.00 0.00 N ATOM 741 CA TYR A 47 2.688 -3.712 1.251 1.00 0.00 C ATOM 742 C TYR A 47 3.170 -5.149 1.105 1.00 0.00 C ATOM 743 O TYR A 47 3.079 -5.934 2.034 1.00 0.00 O ATOM 744 CB TYR A 47 1.536 -3.444 0.267 1.00 0.00 C ATOM 745 CG TYR A 47 0.408 -4.464 0.316 1.00 0.00 C ATOM 746 CD1 TYR A 47 -0.671 -4.296 1.166 1.00 0.00 C ATOM 747 CD2 TYR A 47 0.423 -5.588 -0.507 1.00 0.00 C ATOM 748 CE1 TYR A 47 -1.706 -5.214 1.201 1.00 0.00 C ATOM 749 CE2 TYR A 47 -0.604 -6.510 -0.478 1.00 0.00 C ATOM 750 CZ TYR A 47 -1.667 -6.319 0.378 1.00 0.00 C ATOM 751 OH TYR A 47 -2.696 -7.232 0.407 1.00 0.00 O ATOM 0 H TYR A 47 3.618 -2.175 0.198 1.00 0.00 H new ATOM 0 HA TYR A 47 2.333 -3.567 2.271 1.00 0.00 H new ATOM 0 HB2 TYR A 47 1.123 -2.456 0.472 1.00 0.00 H new ATOM 0 HB3 TYR A 47 1.940 -3.417 -0.745 1.00 0.00 H new ATOM 0 HD1 TYR A 47 -0.706 -3.433 1.814 1.00 0.00 H new ATOM 0 HD2 TYR A 47 1.254 -5.741 -1.180 1.00 0.00 H new ATOM 0 HE1 TYR A 47 -2.541 -5.065 1.870 1.00 0.00 H new ATOM 0 HE2 TYR A 47 -0.575 -7.376 -1.123 1.00 0.00 H new ATOM 0 HH TYR A 47 -2.514 -7.950 -0.234 1.00 0.00 H new ATOM 761 N CYS A 48 3.720 -5.483 -0.054 1.00 0.00 N ATOM 762 CA CYS A 48 4.161 -6.846 -0.317 1.00 0.00 C ATOM 763 C CYS A 48 5.267 -7.277 0.647 1.00 0.00 C ATOM 764 O CYS A 48 5.306 -8.426 1.086 1.00 0.00 O ATOM 765 CB CYS A 48 4.603 -7.008 -1.779 1.00 0.00 C ATOM 766 SG CYS A 48 5.946 -5.915 -2.300 1.00 0.00 S ATOM 0 H CYS A 48 3.871 -4.832 -0.825 1.00 0.00 H new ATOM 0 HA CYS A 48 3.310 -7.505 -0.148 1.00 0.00 H new ATOM 0 HB2 CYS A 48 4.914 -8.041 -1.936 1.00 0.00 H new ATOM 0 HB3 CYS A 48 3.742 -6.833 -2.424 1.00 0.00 H new ATOM 0 HG CYS A 48 6.336 -5.195 -1.290 1.00 0.00 H new ATOM 772 N GLU A 49 6.148 -6.346 1.004 1.00 0.00 N ATOM 773 CA GLU A 49 7.236 -6.629 1.923 1.00 0.00 C ATOM 774 C GLU A 49 6.721 -6.992 3.304 1.00 0.00 C ATOM 775 O GLU A 49 7.180 -7.953 3.916 1.00 0.00 O ATOM 776 CB GLU A 49 8.165 -5.431 2.018 1.00 0.00 C ATOM 777 CG GLU A 49 8.982 -5.210 0.769 1.00 0.00 C ATOM 778 CD GLU A 49 9.987 -6.310 0.542 1.00 0.00 C ATOM 779 OE1 GLU A 49 11.105 -6.225 1.093 1.00 0.00 O ATOM 780 OE2 GLU A 49 9.672 -7.264 -0.190 1.00 0.00 O ATOM 0 H GLU A 49 6.125 -5.384 0.666 1.00 0.00 H new ATOM 0 HA GLU A 49 7.785 -7.486 1.532 1.00 0.00 H new ATOM 0 HB2 GLU A 49 7.575 -4.537 2.221 1.00 0.00 H new ATOM 0 HB3 GLU A 49 8.838 -5.568 2.865 1.00 0.00 H new ATOM 0 HG2 GLU A 49 8.316 -5.146 -0.092 1.00 0.00 H new ATOM 0 HG3 GLU A 49 9.502 -4.255 0.842 1.00 0.00 H new ATOM 787 N ARG A 50 5.750 -6.244 3.792 1.00 0.00 N ATOM 788 CA ARG A 50 5.223 -6.475 5.128 1.00 0.00 C ATOM 789 C ARG A 50 4.218 -7.631 5.142 1.00 0.00 C ATOM 790 O ARG A 50 4.093 -8.347 6.127 1.00 0.00 O ATOM 791 CB ARG A 50 4.572 -5.202 5.679 1.00 0.00 C ATOM 792 CG ARG A 50 3.309 -4.791 4.942 1.00 0.00 C ATOM 793 CD ARG A 50 2.682 -3.558 5.552 1.00 0.00 C ATOM 794 NE ARG A 50 2.338 -3.761 6.964 1.00 0.00 N ATOM 795 CZ ARG A 50 2.358 -2.804 7.896 1.00 0.00 C ATOM 796 NH1 ARG A 50 2.789 -1.582 7.596 1.00 0.00 N ATOM 797 NH2 ARG A 50 1.967 -3.080 9.129 1.00 0.00 N ATOM 0 H ARG A 50 5.310 -5.474 3.288 1.00 0.00 H new ATOM 0 HA ARG A 50 6.061 -6.749 5.769 1.00 0.00 H new ATOM 0 HB2 ARG A 50 4.334 -5.353 6.732 1.00 0.00 H new ATOM 0 HB3 ARG A 50 5.293 -4.386 5.629 1.00 0.00 H new ATOM 0 HG2 ARG A 50 3.545 -4.600 3.895 1.00 0.00 H new ATOM 0 HG3 ARG A 50 2.592 -5.612 4.962 1.00 0.00 H new ATOM 0 HD2 ARG A 50 3.371 -2.718 5.463 1.00 0.00 H new ATOM 0 HD3 ARG A 50 1.784 -3.293 4.994 1.00 0.00 H new ATOM 0 HE ARG A 50 2.064 -4.700 7.255 1.00 0.00 H new ATOM 0 HH11 ARG A 50 3.107 -1.371 6.650 1.00 0.00 H new ATOM 0 HH12 ARG A 50 2.802 -0.856 8.312 1.00 0.00 H new ATOM 0 HH21 ARG A 50 1.652 -4.021 9.365 1.00 0.00 H new ATOM 0 HH22 ARG A 50 1.981 -2.352 9.843 1.00 0.00 H new ATOM 811 N GLN A 51 3.491 -7.806 4.048 1.00 0.00 N ATOM 812 CA GLN A 51 2.478 -8.853 3.965 1.00 0.00 C ATOM 813 C GLN A 51 3.085 -10.208 3.648 1.00 0.00 C ATOM 814 O GLN A 51 2.509 -11.248 3.953 1.00 0.00 O ATOM 815 CB GLN A 51 1.447 -8.481 2.914 1.00 0.00 C ATOM 816 CG GLN A 51 0.706 -7.216 3.246 1.00 0.00 C ATOM 817 CD GLN A 51 -0.155 -7.358 4.478 1.00 0.00 C ATOM 818 OE1 GLN A 51 -1.326 -7.661 4.383 1.00 0.00 O ATOM 819 NE2 GLN A 51 0.432 -7.168 5.647 1.00 0.00 N ATOM 0 H GLN A 51 3.582 -7.238 3.205 1.00 0.00 H new ATOM 0 HA GLN A 51 1.998 -8.934 4.940 1.00 0.00 H new ATOM 0 HB2 GLN A 51 1.943 -8.364 1.951 1.00 0.00 H new ATOM 0 HB3 GLN A 51 0.733 -9.298 2.807 1.00 0.00 H new ATOM 0 HG2 GLN A 51 1.422 -6.408 3.398 1.00 0.00 H new ATOM 0 HG3 GLN A 51 0.080 -6.932 2.400 1.00 0.00 H new ATOM 0 HE21 GLN A 51 1.419 -6.914 5.687 1.00 0.00 H new ATOM 0 HE22 GLN A 51 -0.102 -7.275 6.509 1.00 0.00 H new ATOM 828 N GLY A 52 4.246 -10.194 3.049 1.00 0.00 N ATOM 829 CA GLY A 52 4.900 -11.430 2.701 1.00 0.00 C ATOM 830 C GLY A 52 4.480 -11.912 1.331 1.00 0.00 C ATOM 831 O GLY A 52 4.351 -13.114 1.081 1.00 0.00 O ATOM 0 H GLY A 52 4.756 -9.349 2.793 1.00 0.00 H new ATOM 0 HA2 GLY A 52 5.981 -11.290 2.723 1.00 0.00 H new ATOM 0 HA3 GLY A 52 4.662 -12.191 3.444 1.00 0.00 H new ATOM 835 N LEU A 53 4.274 -10.970 0.431 1.00 0.00 N ATOM 836 CA LEU A 53 3.891 -11.274 -0.927 1.00 0.00 C ATOM 837 C LEU A 53 4.947 -10.730 -1.863 1.00 0.00 C ATOM 838 O LEU A 53 5.737 -9.873 -1.487 1.00 0.00 O ATOM 839 CB LEU A 53 2.517 -10.676 -1.287 1.00 0.00 C ATOM 840 CG LEU A 53 1.275 -11.387 -0.729 1.00 0.00 C ATOM 841 CD1 LEU A 53 1.275 -12.865 -1.089 1.00 0.00 C ATOM 842 CD2 LEU A 53 1.139 -11.193 0.765 1.00 0.00 C ATOM 0 H LEU A 53 4.368 -9.973 0.624 1.00 0.00 H new ATOM 0 HA LEU A 53 3.810 -12.356 -1.027 1.00 0.00 H new ATOM 0 HB2 LEU A 53 2.498 -9.642 -0.943 1.00 0.00 H new ATOM 0 HB3 LEU A 53 2.433 -10.652 -2.373 1.00 0.00 H new ATOM 0 HG LEU A 53 0.405 -10.927 -1.198 1.00 0.00 H new ATOM 0 HD11 LEU A 53 0.383 -13.339 -0.679 1.00 0.00 H new ATOM 0 HD12 LEU A 53 1.279 -12.975 -2.173 1.00 0.00 H new ATOM 0 HD13 LEU A 53 2.163 -13.341 -0.672 1.00 0.00 H new ATOM 0 HD21 LEU A 53 0.248 -11.712 1.120 1.00 0.00 H new ATOM 0 HD22 LEU A 53 2.018 -11.598 1.266 1.00 0.00 H new ATOM 0 HD23 LEU A 53 1.052 -10.129 0.987 1.00 0.00 H new ATOM 854 N SER A 54 4.986 -11.228 -3.062 1.00 0.00 N ATOM 855 CA SER A 54 5.946 -10.760 -4.032 1.00 0.00 C ATOM 856 C SER A 54 5.236 -10.067 -5.181 1.00 0.00 C ATOM 857 O SER A 54 4.056 -10.313 -5.422 1.00 0.00 O ATOM 858 CB SER A 54 6.771 -11.934 -4.540 1.00 0.00 C ATOM 859 OG SER A 54 7.502 -12.538 -3.480 1.00 0.00 O ATOM 0 H SER A 54 4.363 -11.962 -3.399 1.00 0.00 H new ATOM 0 HA SER A 54 6.613 -10.039 -3.560 1.00 0.00 H new ATOM 0 HB2 SER A 54 6.115 -12.672 -5.001 1.00 0.00 H new ATOM 0 HB3 SER A 54 7.459 -11.592 -5.313 1.00 0.00 H new ATOM 0 HG SER A 54 8.023 -13.291 -3.829 1.00 0.00 H new ATOM 865 N MET A 55 5.944 -9.207 -5.899 1.00 0.00 N ATOM 866 CA MET A 55 5.353 -8.479 -7.022 1.00 0.00 C ATOM 867 C MET A 55 4.943 -9.429 -8.140 1.00 0.00 C ATOM 868 O MET A 55 4.032 -9.152 -8.905 1.00 0.00 O ATOM 869 CB MET A 55 6.311 -7.400 -7.542 1.00 0.00 C ATOM 870 CG MET A 55 6.315 -6.156 -6.683 1.00 0.00 C ATOM 871 SD MET A 55 4.693 -5.378 -6.632 1.00 0.00 S ATOM 872 CE MET A 55 4.924 -4.234 -5.291 1.00 0.00 C ATOM 0 H MET A 55 6.927 -8.994 -5.728 1.00 0.00 H new ATOM 0 HA MET A 55 4.452 -7.984 -6.660 1.00 0.00 H new ATOM 0 HB2 MET A 55 7.321 -7.808 -7.587 1.00 0.00 H new ATOM 0 HB3 MET A 55 6.030 -7.132 -8.560 1.00 0.00 H new ATOM 0 HG2 MET A 55 6.627 -6.413 -5.671 1.00 0.00 H new ATOM 0 HG3 MET A 55 7.047 -5.448 -7.072 1.00 0.00 H new ATOM 0 HE1 MET A 55 4.123 -4.360 -4.563 1.00 0.00 H new ATOM 0 HE2 MET A 55 5.884 -4.425 -4.811 1.00 0.00 H new ATOM 0 HE3 MET A 55 4.907 -3.214 -5.676 1.00 0.00 H new ATOM 882 N ARG A 56 5.625 -10.557 -8.234 1.00 0.00 N ATOM 883 CA ARG A 56 5.285 -11.576 -9.223 1.00 0.00 C ATOM 884 C ARG A 56 4.208 -12.503 -8.677 1.00 0.00 C ATOM 885 O ARG A 56 3.696 -13.363 -9.374 1.00 0.00 O ATOM 886 CB ARG A 56 6.515 -12.394 -9.654 1.00 0.00 C ATOM 887 CG ARG A 56 7.237 -13.101 -8.520 1.00 0.00 C ATOM 888 CD ARG A 56 8.390 -12.272 -7.985 1.00 0.00 C ATOM 889 NE ARG A 56 9.391 -12.013 -9.012 1.00 0.00 N ATOM 890 CZ ARG A 56 10.705 -12.203 -8.861 1.00 0.00 C ATOM 891 NH1 ARG A 56 11.190 -12.684 -7.719 1.00 0.00 N ATOM 892 NH2 ARG A 56 11.528 -11.917 -9.862 1.00 0.00 N ATOM 0 H ARG A 56 6.419 -10.795 -7.639 1.00 0.00 H new ATOM 0 HA ARG A 56 4.906 -11.060 -10.105 1.00 0.00 H new ATOM 0 HB2 ARG A 56 6.201 -13.138 -10.386 1.00 0.00 H new ATOM 0 HB3 ARG A 56 7.218 -11.730 -10.156 1.00 0.00 H new ATOM 0 HG2 ARG A 56 6.533 -13.308 -7.714 1.00 0.00 H new ATOM 0 HG3 ARG A 56 7.612 -14.062 -8.871 1.00 0.00 H new ATOM 0 HD2 ARG A 56 8.010 -11.325 -7.601 1.00 0.00 H new ATOM 0 HD3 ARG A 56 8.854 -12.793 -7.147 1.00 0.00 H new ATOM 0 HE ARG A 56 9.065 -11.661 -9.912 1.00 0.00 H new ATOM 0 HH11 ARG A 56 10.558 -12.910 -6.951 1.00 0.00 H new ATOM 0 HH12 ARG A 56 12.194 -12.826 -7.611 1.00 0.00 H new ATOM 0 HH21 ARG A 56 11.156 -11.554 -10.740 1.00 0.00 H new ATOM 0 HH22 ARG A 56 12.532 -12.060 -9.753 1.00 0.00 H new ATOM 906 N GLN A 57 3.896 -12.336 -7.404 1.00 0.00 N ATOM 907 CA GLN A 57 2.904 -13.156 -6.731 1.00 0.00 C ATOM 908 C GLN A 57 1.553 -12.464 -6.673 1.00 0.00 C ATOM 909 O GLN A 57 0.526 -13.117 -6.474 1.00 0.00 O ATOM 910 CB GLN A 57 3.370 -13.500 -5.310 1.00 0.00 C ATOM 911 CG GLN A 57 4.032 -14.866 -5.176 1.00 0.00 C ATOM 912 CD GLN A 57 5.305 -14.997 -5.979 1.00 0.00 C ATOM 913 OE1 GLN A 57 6.390 -14.747 -5.476 1.00 0.00 O ATOM 914 NE2 GLN A 57 5.177 -15.360 -7.237 1.00 0.00 N ATOM 0 H GLN A 57 4.323 -11.628 -6.807 1.00 0.00 H new ATOM 0 HA GLN A 57 2.792 -14.074 -7.308 1.00 0.00 H new ATOM 0 HB2 GLN A 57 4.072 -12.736 -4.976 1.00 0.00 H new ATOM 0 HB3 GLN A 57 2.512 -13.459 -4.640 1.00 0.00 H new ATOM 0 HG2 GLN A 57 4.253 -15.053 -4.125 1.00 0.00 H new ATOM 0 HG3 GLN A 57 3.329 -15.635 -5.495 1.00 0.00 H new ATOM 0 HE21 GLN A 57 4.252 -15.560 -7.619 1.00 0.00 H new ATOM 0 HE22 GLN A 57 6.002 -15.442 -7.831 1.00 0.00 H new ATOM 923 N ILE A 58 1.536 -11.139 -6.837 1.00 0.00 N ATOM 924 CA ILE A 58 0.289 -10.369 -6.753 1.00 0.00 C ATOM 925 C ILE A 58 0.294 -9.202 -7.732 1.00 0.00 C ATOM 926 O ILE A 58 1.238 -9.017 -8.492 1.00 0.00 O ATOM 927 CB ILE A 58 0.061 -9.788 -5.332 1.00 0.00 C ATOM 928 CG1 ILE A 58 1.094 -8.691 -5.023 1.00 0.00 C ATOM 929 CG2 ILE A 58 0.098 -10.882 -4.287 1.00 0.00 C ATOM 930 CD1 ILE A 58 1.014 -8.138 -3.616 1.00 0.00 C ATOM 0 H ILE A 58 2.366 -10.578 -7.028 1.00 0.00 H new ATOM 0 HA ILE A 58 -0.511 -11.067 -6.998 1.00 0.00 H new ATOM 0 HB ILE A 58 -0.931 -9.336 -5.304 1.00 0.00 H new ATOM 0 HG12 ILE A 58 2.094 -9.093 -5.186 1.00 0.00 H new ATOM 0 HG13 ILE A 58 0.960 -7.873 -5.731 1.00 0.00 H new ATOM 0 HG21 ILE A 58 -0.064 -10.448 -3.300 1.00 0.00 H new ATOM 0 HG22 ILE A 58 -0.685 -11.611 -4.496 1.00 0.00 H new ATOM 0 HG23 ILE A 58 1.070 -11.375 -4.311 1.00 0.00 H new ATOM 0 HD11 ILE A 58 1.777 -7.371 -3.483 1.00 0.00 H new ATOM 0 HD12 ILE A 58 0.028 -7.703 -3.452 1.00 0.00 H new ATOM 0 HD13 ILE A 58 1.179 -8.942 -2.899 1.00 0.00 H new ATOM 942 N ARG A 59 -0.771 -8.410 -7.695 1.00 0.00 N ATOM 943 CA ARG A 59 -0.908 -7.224 -8.524 1.00 0.00 C ATOM 944 C ARG A 59 -1.863 -6.234 -7.884 1.00 0.00 C ATOM 945 O ARG A 59 -2.873 -6.622 -7.291 1.00 0.00 O ATOM 946 CB ARG A 59 -1.395 -7.578 -9.932 1.00 0.00 C ATOM 947 CG ARG A 59 -0.283 -7.869 -10.923 1.00 0.00 C ATOM 948 CD ARG A 59 0.594 -6.650 -11.141 1.00 0.00 C ATOM 949 NE ARG A 59 1.593 -6.884 -12.184 1.00 0.00 N ATOM 950 CZ ARG A 59 2.291 -5.926 -12.800 1.00 0.00 C ATOM 951 NH1 ARG A 59 2.096 -4.643 -12.498 1.00 0.00 N ATOM 952 NH2 ARG A 59 3.182 -6.254 -13.728 1.00 0.00 N ATOM 0 H ARG A 59 -1.569 -8.577 -7.083 1.00 0.00 H new ATOM 0 HA ARG A 59 0.078 -6.768 -8.608 1.00 0.00 H new ATOM 0 HB2 ARG A 59 -2.047 -8.449 -9.870 1.00 0.00 H new ATOM 0 HB3 ARG A 59 -1.999 -6.754 -10.313 1.00 0.00 H new ATOM 0 HG2 ARG A 59 0.325 -8.697 -10.558 1.00 0.00 H new ATOM 0 HG3 ARG A 59 -0.713 -8.185 -11.873 1.00 0.00 H new ATOM 0 HD2 ARG A 59 -0.028 -5.798 -11.417 1.00 0.00 H new ATOM 0 HD3 ARG A 59 1.095 -6.390 -10.208 1.00 0.00 H new ATOM 0 HE ARG A 59 1.769 -7.850 -12.461 1.00 0.00 H new ATOM 0 HH11 ARG A 59 1.408 -4.384 -11.790 1.00 0.00 H new ATOM 0 HH12 ARG A 59 2.634 -3.919 -12.974 1.00 0.00 H new ATOM 0 HH21 ARG A 59 3.331 -7.234 -13.968 1.00 0.00 H new ATOM 0 HH22 ARG A 59 3.717 -5.526 -14.201 1.00 0.00 H new ATOM 966 N PHE A 60 -1.537 -4.957 -7.994 1.00 0.00 N ATOM 967 CA PHE A 60 -2.370 -3.893 -7.460 1.00 0.00 C ATOM 968 C PHE A 60 -3.253 -3.338 -8.569 1.00 0.00 C ATOM 969 O PHE A 60 -2.812 -3.186 -9.709 1.00 0.00 O ATOM 970 CB PHE A 60 -1.504 -2.769 -6.863 1.00 0.00 C ATOM 971 CG PHE A 60 -0.633 -3.204 -5.711 1.00 0.00 C ATOM 972 CD1 PHE A 60 0.479 -3.996 -5.939 1.00 0.00 C ATOM 973 CD2 PHE A 60 -0.921 -2.817 -4.404 1.00 0.00 C ATOM 974 CE1 PHE A 60 1.286 -4.400 -4.900 1.00 0.00 C ATOM 975 CE2 PHE A 60 -0.110 -3.221 -3.361 1.00 0.00 C ATOM 976 CZ PHE A 60 0.992 -4.011 -3.611 1.00 0.00 C ATOM 0 H PHE A 60 -0.688 -4.629 -8.455 1.00 0.00 H new ATOM 0 HA PHE A 60 -2.994 -4.300 -6.665 1.00 0.00 H new ATOM 0 HB2 PHE A 60 -0.870 -2.359 -7.649 1.00 0.00 H new ATOM 0 HB3 PHE A 60 -2.156 -1.963 -6.526 1.00 0.00 H new ATOM 0 HD1 PHE A 60 0.717 -4.301 -6.947 1.00 0.00 H new ATOM 0 HD2 PHE A 60 -1.783 -2.198 -4.205 1.00 0.00 H new ATOM 0 HE1 PHE A 60 2.148 -5.021 -5.094 1.00 0.00 H new ATOM 0 HE2 PHE A 60 -0.339 -2.918 -2.350 1.00 0.00 H new ATOM 0 HZ PHE A 60 1.626 -4.326 -2.795 1.00 0.00 H new ATOM 986 N ARG A 61 -4.492 -3.048 -8.248 1.00 0.00 N ATOM 987 CA ARG A 61 -5.445 -2.549 -9.225 1.00 0.00 C ATOM 988 C ARG A 61 -6.319 -1.467 -8.624 1.00 0.00 C ATOM 989 O ARG A 61 -6.741 -1.554 -7.469 1.00 0.00 O ATOM 990 CB ARG A 61 -6.285 -3.727 -9.768 1.00 0.00 C ATOM 991 CG ARG A 61 -7.537 -3.369 -10.574 1.00 0.00 C ATOM 992 CD ARG A 61 -8.762 -3.202 -9.675 1.00 0.00 C ATOM 993 NE ARG A 61 -10.008 -3.444 -10.396 1.00 0.00 N ATOM 994 CZ ARG A 61 -11.232 -3.221 -9.904 1.00 0.00 C ATOM 995 NH1 ARG A 61 -11.390 -2.758 -8.668 1.00 0.00 N ATOM 996 NH2 ARG A 61 -12.301 -3.484 -10.645 1.00 0.00 N ATOM 0 H ARG A 61 -4.872 -3.149 -7.307 1.00 0.00 H new ATOM 0 HA ARG A 61 -4.906 -2.095 -10.057 1.00 0.00 H new ATOM 0 HB2 ARG A 61 -5.641 -4.342 -10.396 1.00 0.00 H new ATOM 0 HB3 ARG A 61 -6.590 -4.345 -8.923 1.00 0.00 H new ATOM 0 HG2 ARG A 61 -7.362 -2.445 -11.126 1.00 0.00 H new ATOM 0 HG3 ARG A 61 -7.730 -4.149 -11.311 1.00 0.00 H new ATOM 0 HD2 ARG A 61 -8.691 -3.891 -8.834 1.00 0.00 H new ATOM 0 HD3 ARG A 61 -8.773 -2.194 -9.261 1.00 0.00 H new ATOM 0 HE ARG A 61 -9.940 -3.810 -11.346 1.00 0.00 H new ATOM 0 HH11 ARG A 61 -10.574 -2.570 -8.086 1.00 0.00 H new ATOM 0 HH12 ARG A 61 -12.327 -2.591 -8.302 1.00 0.00 H new ATOM 0 HH21 ARG A 61 -12.189 -3.856 -11.588 1.00 0.00 H new ATOM 0 HH22 ARG A 61 -13.235 -3.315 -10.271 1.00 0.00 H new ATOM 1010 N PHE A 62 -6.584 -0.440 -9.403 1.00 0.00 N ATOM 1011 CA PHE A 62 -7.421 0.651 -8.978 1.00 0.00 C ATOM 1012 C PHE A 62 -8.224 1.166 -10.142 1.00 0.00 C ATOM 1013 O PHE A 62 -7.765 1.144 -11.261 1.00 0.00 O ATOM 1014 CB PHE A 62 -6.594 1.784 -8.399 1.00 0.00 C ATOM 1015 CG PHE A 62 -7.427 2.927 -7.932 1.00 0.00 C ATOM 1016 CD1 PHE A 62 -8.284 2.757 -6.883 1.00 0.00 C ATOM 1017 CD2 PHE A 62 -7.352 4.166 -8.539 1.00 0.00 C ATOM 1018 CE1 PHE A 62 -9.054 3.796 -6.432 1.00 0.00 C ATOM 1019 CE2 PHE A 62 -8.125 5.219 -8.092 1.00 0.00 C ATOM 1020 CZ PHE A 62 -8.976 5.030 -7.028 1.00 0.00 C ATOM 0 H PHE A 62 -6.222 -0.342 -10.351 1.00 0.00 H new ATOM 0 HA PHE A 62 -8.090 0.278 -8.203 1.00 0.00 H new ATOM 0 HB2 PHE A 62 -6.003 1.407 -7.565 1.00 0.00 H new ATOM 0 HB3 PHE A 62 -5.891 2.137 -9.154 1.00 0.00 H new ATOM 0 HD1 PHE A 62 -8.356 1.792 -6.403 1.00 0.00 H new ATOM 0 HD2 PHE A 62 -6.681 4.312 -9.373 1.00 0.00 H new ATOM 0 HE1 PHE A 62 -9.727 3.643 -5.602 1.00 0.00 H new ATOM 0 HE2 PHE A 62 -8.062 6.183 -8.574 1.00 0.00 H new ATOM 0 HZ PHE A 62 -9.580 5.848 -6.664 1.00 0.00 H new ATOM 1030 N ASP A 63 -9.431 1.628 -9.865 1.00 0.00 N ATOM 1031 CA ASP A 63 -10.336 2.180 -10.891 1.00 0.00 C ATOM 1032 C ASP A 63 -10.590 1.162 -11.991 1.00 0.00 C ATOM 1033 O ASP A 63 -10.950 1.504 -13.115 1.00 0.00 O ATOM 1034 CB ASP A 63 -9.711 3.432 -11.500 1.00 0.00 C ATOM 1035 CG ASP A 63 -10.726 4.357 -12.144 1.00 0.00 C ATOM 1036 OD1 ASP A 63 -11.583 4.904 -11.421 1.00 0.00 O ATOM 1037 OD2 ASP A 63 -10.656 4.561 -13.378 1.00 0.00 O ATOM 0 H ASP A 63 -9.824 1.636 -8.924 1.00 0.00 H new ATOM 0 HA ASP A 63 -11.286 2.428 -10.417 1.00 0.00 H new ATOM 0 HB2 ASP A 63 -9.175 3.977 -10.723 1.00 0.00 H new ATOM 0 HB3 ASP A 63 -8.975 3.135 -12.247 1.00 0.00 H new ATOM 1042 N GLY A 64 -10.414 -0.095 -11.660 1.00 0.00 N ATOM 1043 CA GLY A 64 -10.619 -1.141 -12.612 1.00 0.00 C ATOM 1044 C GLY A 64 -9.406 -1.380 -13.495 1.00 0.00 C ATOM 1045 O GLY A 64 -9.399 -2.284 -14.326 1.00 0.00 O ATOM 0 H GLY A 64 -10.128 -0.411 -10.733 1.00 0.00 H new ATOM 0 HA2 GLY A 64 -10.866 -2.062 -12.085 1.00 0.00 H new ATOM 0 HA3 GLY A 64 -11.476 -0.893 -13.239 1.00 0.00 H new ATOM 1049 N GLN A 65 -8.369 -0.578 -13.314 1.00 0.00 N ATOM 1050 CA GLN A 65 -7.152 -0.702 -14.103 1.00 0.00 C ATOM 1051 C GLN A 65 -5.969 -1.106 -13.213 1.00 0.00 C ATOM 1052 O GLN A 65 -5.929 -0.764 -12.033 1.00 0.00 O ATOM 1053 CB GLN A 65 -6.862 0.622 -14.824 1.00 0.00 C ATOM 1054 CG GLN A 65 -6.775 1.820 -13.891 1.00 0.00 C ATOM 1055 CD GLN A 65 -6.601 3.134 -14.614 1.00 0.00 C ATOM 1056 OE1 GLN A 65 -5.896 4.055 -13.990 1.00 0.00 O flip ATOM 1057 NE2 GLN A 65 -7.097 3.318 -15.725 1.00 0.00 N flip ATOM 0 H GLN A 65 -8.346 0.171 -12.622 1.00 0.00 H new ATOM 0 HA GLN A 65 -7.293 -1.484 -14.849 1.00 0.00 H new ATOM 0 HB2 GLN A 65 -5.924 0.530 -15.371 1.00 0.00 H new ATOM 0 HB3 GLN A 65 -7.644 0.803 -15.561 1.00 0.00 H new ATOM 0 HG2 GLN A 65 -7.680 1.865 -13.285 1.00 0.00 H new ATOM 0 HG3 GLN A 65 -5.939 1.677 -13.206 1.00 0.00 H new ATOM 0 HE21 GLN A 65 -7.636 2.576 -16.172 1.00 0.00 H new ATOM 0 HE22 GLN A 65 -6.969 4.212 -16.199 1.00 0.00 H new ATOM 1066 N PRO A 66 -5.003 -1.855 -13.759 1.00 0.00 N ATOM 1067 CA PRO A 66 -3.824 -2.286 -13.003 1.00 0.00 C ATOM 1068 C PRO A 66 -2.897 -1.114 -12.678 1.00 0.00 C ATOM 1069 O PRO A 66 -2.731 -0.192 -13.484 1.00 0.00 O ATOM 1070 CB PRO A 66 -3.130 -3.274 -13.947 1.00 0.00 C ATOM 1071 CG PRO A 66 -3.583 -2.879 -15.310 1.00 0.00 C ATOM 1072 CD PRO A 66 -4.980 -2.341 -15.150 1.00 0.00 C ATOM 0 HA PRO A 66 -4.091 -2.722 -12.040 1.00 0.00 H new ATOM 0 HB2 PRO A 66 -2.045 -3.212 -13.857 1.00 0.00 H new ATOM 0 HB3 PRO A 66 -3.410 -4.302 -13.719 1.00 0.00 H new ATOM 0 HG2 PRO A 66 -2.922 -2.124 -15.736 1.00 0.00 H new ATOM 0 HG3 PRO A 66 -3.570 -3.733 -15.987 1.00 0.00 H new ATOM 0 HD2 PRO A 66 -5.185 -1.539 -15.859 1.00 0.00 H new ATOM 0 HD3 PRO A 66 -5.730 -3.114 -15.318 1.00 0.00 H new ATOM 1080 N ILE A 67 -2.300 -1.138 -11.499 1.00 0.00 N ATOM 1081 CA ILE A 67 -1.407 -0.073 -11.075 1.00 0.00 C ATOM 1082 C ILE A 67 0.043 -0.450 -11.351 1.00 0.00 C ATOM 1083 O ILE A 67 0.420 -1.626 -11.278 1.00 0.00 O ATOM 1084 CB ILE A 67 -1.564 0.227 -9.563 1.00 0.00 C ATOM 1085 CG1 ILE A 67 -3.035 0.400 -9.190 1.00 0.00 C ATOM 1086 CG2 ILE A 67 -0.778 1.472 -9.185 1.00 0.00 C ATOM 1087 CD1 ILE A 67 -3.255 0.643 -7.713 1.00 0.00 C ATOM 0 H ILE A 67 -2.418 -1.886 -10.816 1.00 0.00 H new ATOM 0 HA ILE A 67 -1.674 0.817 -11.644 1.00 0.00 H new ATOM 0 HB ILE A 67 -1.167 -0.623 -9.007 1.00 0.00 H new ATOM 0 HG12 ILE A 67 -3.449 1.236 -9.754 1.00 0.00 H new ATOM 0 HG13 ILE A 67 -3.586 -0.491 -9.490 1.00 0.00 H new ATOM 0 HG21 ILE A 67 -0.899 1.669 -8.120 1.00 0.00 H new ATOM 0 HG22 ILE A 67 0.278 1.317 -9.408 1.00 0.00 H new ATOM 0 HG23 ILE A 67 -1.149 2.323 -9.756 1.00 0.00 H new ATOM 0 HD11 ILE A 67 -4.321 0.757 -7.518 1.00 0.00 H new ATOM 0 HD12 ILE A 67 -2.870 -0.203 -7.144 1.00 0.00 H new ATOM 0 HD13 ILE A 67 -2.732 1.551 -7.412 1.00 0.00 H new ATOM 1099 N ASN A 68 0.854 0.541 -11.681 1.00 0.00 N ATOM 1100 CA ASN A 68 2.265 0.325 -11.936 1.00 0.00 C ATOM 1101 C ASN A 68 3.075 1.251 -11.071 1.00 0.00 C ATOM 1102 O ASN A 68 2.538 2.169 -10.452 1.00 0.00 O ATOM 1103 CB ASN A 68 2.622 0.580 -13.402 1.00 0.00 C ATOM 1104 CG ASN A 68 1.463 0.405 -14.335 1.00 0.00 C ATOM 1105 OD1 ASN A 68 1.200 -0.688 -14.832 1.00 0.00 O ATOM 1106 ND2 ASN A 68 0.767 1.483 -14.585 1.00 0.00 N ATOM 0 H ASN A 68 0.554 1.511 -11.779 1.00 0.00 H new ATOM 0 HA ASN A 68 2.490 -0.716 -11.705 1.00 0.00 H new ATOM 0 HB2 ASN A 68 3.010 1.593 -13.503 1.00 0.00 H new ATOM 0 HB3 ASN A 68 3.422 -0.099 -13.697 1.00 0.00 H new ATOM 0 HD21 ASN A 68 -0.033 1.439 -15.216 1.00 0.00 H new ATOM 0 HD22 ASN A 68 1.024 2.368 -14.149 1.00 0.00 H new ATOM 1113 N GLU A 69 4.368 1.044 -11.040 1.00 0.00 N ATOM 1114 CA GLU A 69 5.250 1.866 -10.238 1.00 0.00 C ATOM 1115 C GLU A 69 5.377 3.278 -10.807 1.00 0.00 C ATOM 1116 O GLU A 69 5.774 4.209 -10.108 1.00 0.00 O ATOM 1117 CB GLU A 69 6.628 1.216 -10.119 1.00 0.00 C ATOM 1118 CG GLU A 69 7.291 0.919 -11.450 1.00 0.00 C ATOM 1119 CD GLU A 69 8.601 0.191 -11.288 1.00 0.00 C ATOM 1120 OE1 GLU A 69 9.638 0.856 -11.088 1.00 0.00 O ATOM 1121 OE2 GLU A 69 8.605 -1.049 -11.360 1.00 0.00 O ATOM 0 H GLU A 69 4.840 0.307 -11.565 1.00 0.00 H new ATOM 0 HA GLU A 69 4.810 1.946 -9.244 1.00 0.00 H new ATOM 0 HB2 GLU A 69 7.278 1.872 -9.540 1.00 0.00 H new ATOM 0 HB3 GLU A 69 6.532 0.286 -9.558 1.00 0.00 H new ATOM 0 HG2 GLU A 69 6.618 0.319 -12.062 1.00 0.00 H new ATOM 0 HG3 GLU A 69 7.461 1.853 -11.985 1.00 0.00 H new ATOM 1128 N THR A 70 5.030 3.437 -12.074 1.00 0.00 N ATOM 1129 CA THR A 70 5.135 4.723 -12.734 1.00 0.00 C ATOM 1130 C THR A 70 3.841 5.520 -12.603 1.00 0.00 C ATOM 1131 O THR A 70 3.713 6.624 -13.140 1.00 0.00 O ATOM 1132 CB THR A 70 5.522 4.566 -14.221 1.00 0.00 C ATOM 1133 OG1 THR A 70 5.541 5.845 -14.878 1.00 0.00 O ATOM 1134 CG2 THR A 70 4.557 3.643 -14.913 1.00 0.00 C ATOM 0 H THR A 70 4.672 2.687 -12.666 1.00 0.00 H new ATOM 0 HA THR A 70 5.930 5.276 -12.234 1.00 0.00 H new ATOM 0 HB THR A 70 6.522 4.136 -14.273 1.00 0.00 H new ATOM 0 HG1 THR A 70 4.882 6.437 -14.460 1.00 0.00 H new ATOM 0 HG21 THR A 70 4.840 3.540 -15.961 1.00 0.00 H new ATOM 0 HG22 THR A 70 4.581 2.665 -14.433 1.00 0.00 H new ATOM 0 HG23 THR A 70 3.550 4.054 -14.848 1.00 0.00 H new ATOM 1142 N ASP A 71 2.889 4.979 -11.876 1.00 0.00 N ATOM 1143 CA ASP A 71 1.646 5.672 -11.661 1.00 0.00 C ATOM 1144 C ASP A 71 1.657 6.438 -10.345 1.00 0.00 C ATOM 1145 O ASP A 71 2.228 5.993 -9.347 1.00 0.00 O ATOM 1146 CB ASP A 71 0.478 4.717 -11.731 1.00 0.00 C ATOM 1147 CG ASP A 71 -0.022 4.577 -13.141 1.00 0.00 C ATOM 1148 OD1 ASP A 71 0.673 3.945 -13.949 1.00 0.00 O ATOM 1149 OD2 ASP A 71 -1.101 5.119 -13.455 1.00 0.00 O ATOM 0 H ASP A 71 2.954 4.065 -11.427 1.00 0.00 H new ATOM 0 HA ASP A 71 1.529 6.403 -12.461 1.00 0.00 H new ATOM 0 HB2 ASP A 71 0.779 3.741 -11.350 1.00 0.00 H new ATOM 0 HB3 ASP A 71 -0.328 5.075 -11.090 1.00 0.00 H new ATOM 1154 N THR A 72 1.058 7.611 -10.357 1.00 0.00 N ATOM 1155 CA THR A 72 0.983 8.460 -9.185 1.00 0.00 C ATOM 1156 C THR A 72 -0.479 8.543 -8.726 1.00 0.00 C ATOM 1157 O THR A 72 -1.375 8.634 -9.556 1.00 0.00 O ATOM 1158 CB THR A 72 1.499 9.872 -9.530 1.00 0.00 C ATOM 1159 OG1 THR A 72 2.541 9.764 -10.512 1.00 0.00 O ATOM 1160 CG2 THR A 72 2.054 10.581 -8.304 1.00 0.00 C ATOM 0 H THR A 72 0.607 8.004 -11.183 1.00 0.00 H new ATOM 0 HA THR A 72 1.599 8.043 -8.388 1.00 0.00 H new ATOM 0 HB THR A 72 0.661 10.454 -9.913 1.00 0.00 H new ATOM 0 HG1 THR A 72 2.872 10.658 -10.737 1.00 0.00 H new ATOM 0 HG21 THR A 72 2.408 11.573 -8.586 1.00 0.00 H new ATOM 0 HG22 THR A 72 1.270 10.676 -7.553 1.00 0.00 H new ATOM 0 HG23 THR A 72 2.882 10.003 -7.893 1.00 0.00 H new ATOM 1168 N PRO A 73 -0.731 8.529 -7.400 1.00 0.00 N ATOM 1169 CA PRO A 73 -2.097 8.532 -6.828 1.00 0.00 C ATOM 1170 C PRO A 73 -2.963 9.685 -7.339 1.00 0.00 C ATOM 1171 O PRO A 73 -4.179 9.548 -7.513 1.00 0.00 O ATOM 1172 CB PRO A 73 -1.846 8.693 -5.319 1.00 0.00 C ATOM 1173 CG PRO A 73 -0.439 9.174 -5.221 1.00 0.00 C ATOM 1174 CD PRO A 73 0.281 8.532 -6.347 1.00 0.00 C ATOM 0 HA PRO A 73 -2.644 7.630 -7.103 1.00 0.00 H new ATOM 0 HB2 PRO A 73 -2.541 9.406 -4.876 1.00 0.00 H new ATOM 0 HB3 PRO A 73 -1.980 7.748 -4.792 1.00 0.00 H new ATOM 0 HG2 PRO A 73 -0.390 10.261 -5.293 1.00 0.00 H new ATOM 0 HG3 PRO A 73 0.004 8.898 -4.264 1.00 0.00 H new ATOM 0 HD2 PRO A 73 1.168 9.095 -6.637 1.00 0.00 H new ATOM 0 HD3 PRO A 73 0.611 7.524 -6.097 1.00 0.00 H new ATOM 1182 N ALA A 74 -2.339 10.816 -7.592 1.00 0.00 N ATOM 1183 CA ALA A 74 -3.047 11.992 -8.050 1.00 0.00 C ATOM 1184 C ALA A 74 -3.569 11.814 -9.471 1.00 0.00 C ATOM 1185 O ALA A 74 -4.576 12.405 -9.854 1.00 0.00 O ATOM 1186 CB ALA A 74 -2.138 13.195 -7.967 1.00 0.00 C ATOM 0 H ALA A 74 -1.333 10.946 -7.487 1.00 0.00 H new ATOM 0 HA ALA A 74 -3.911 12.145 -7.403 1.00 0.00 H new ATOM 0 HB1 ALA A 74 -2.673 14.080 -8.312 1.00 0.00 H new ATOM 0 HB2 ALA A 74 -1.822 13.342 -6.934 1.00 0.00 H new ATOM 0 HB3 ALA A 74 -1.262 13.033 -8.595 1.00 0.00 H new ATOM 1192 N GLN A 75 -2.898 10.980 -10.239 1.00 0.00 N ATOM 1193 CA GLN A 75 -3.264 10.729 -11.623 1.00 0.00 C ATOM 1194 C GLN A 75 -4.582 9.986 -11.725 1.00 0.00 C ATOM 1195 O GLN A 75 -5.348 10.178 -12.670 1.00 0.00 O ATOM 1196 CB GLN A 75 -2.159 9.941 -12.324 1.00 0.00 C ATOM 1197 CG GLN A 75 -1.128 10.803 -13.031 1.00 0.00 C ATOM 1198 CD GLN A 75 -0.478 11.855 -12.143 1.00 0.00 C ATOM 1199 OE1 GLN A 75 -0.320 11.670 -10.938 1.00 0.00 O ATOM 1200 NE2 GLN A 75 -0.093 12.965 -12.741 1.00 0.00 N ATOM 0 H GLN A 75 -2.082 10.455 -9.923 1.00 0.00 H new ATOM 0 HA GLN A 75 -3.387 11.693 -12.116 1.00 0.00 H new ATOM 0 HB2 GLN A 75 -1.651 9.318 -11.588 1.00 0.00 H new ATOM 0 HB3 GLN A 75 -2.614 9.269 -13.052 1.00 0.00 H new ATOM 0 HG2 GLN A 75 -0.350 10.158 -13.439 1.00 0.00 H new ATOM 0 HG3 GLN A 75 -1.605 11.301 -13.875 1.00 0.00 H new ATOM 0 HE21 GLN A 75 -0.241 13.082 -13.743 1.00 0.00 H new ATOM 0 HE22 GLN A 75 0.353 13.707 -12.201 1.00 0.00 H new ATOM 1209 N LEU A 76 -4.857 9.134 -10.755 1.00 0.00 N ATOM 1210 CA LEU A 76 -6.089 8.374 -10.753 1.00 0.00 C ATOM 1211 C LEU A 76 -7.159 9.116 -9.962 1.00 0.00 C ATOM 1212 O LEU A 76 -8.227 8.573 -9.675 1.00 0.00 O ATOM 1213 CB LEU A 76 -5.863 6.979 -10.163 1.00 0.00 C ATOM 1214 CG LEU A 76 -4.532 6.313 -10.529 1.00 0.00 C ATOM 1215 CD1 LEU A 76 -3.533 6.505 -9.409 1.00 0.00 C ATOM 1216 CD2 LEU A 76 -4.719 4.838 -10.824 1.00 0.00 C ATOM 0 H LEU A 76 -4.244 8.952 -9.960 1.00 0.00 H new ATOM 0 HA LEU A 76 -6.427 8.259 -11.783 1.00 0.00 H new ATOM 0 HB2 LEU A 76 -5.927 7.049 -9.077 1.00 0.00 H new ATOM 0 HB3 LEU A 76 -6.675 6.330 -10.490 1.00 0.00 H new ATOM 0 HG LEU A 76 -4.150 6.787 -11.433 1.00 0.00 H new ATOM 0 HD11 LEU A 76 -2.590 6.029 -9.677 1.00 0.00 H new ATOM 0 HD12 LEU A 76 -3.368 7.570 -9.247 1.00 0.00 H new ATOM 0 HD13 LEU A 76 -3.920 6.054 -8.495 1.00 0.00 H new ATOM 0 HD21 LEU A 76 -3.757 4.393 -11.080 1.00 0.00 H new ATOM 0 HD22 LEU A 76 -5.126 4.340 -9.944 1.00 0.00 H new ATOM 0 HD23 LEU A 76 -5.408 4.719 -11.660 1.00 0.00 H new ATOM 1228 N GLU A 77 -6.845 10.387 -9.613 1.00 0.00 N ATOM 1229 CA GLU A 77 -7.731 11.291 -8.850 1.00 0.00 C ATOM 1230 C GLU A 77 -8.402 10.586 -7.673 1.00 0.00 C ATOM 1231 O GLU A 77 -9.579 10.806 -7.369 1.00 0.00 O ATOM 1232 CB GLU A 77 -8.765 11.983 -9.768 1.00 0.00 C ATOM 1233 CG GLU A 77 -9.708 11.048 -10.507 1.00 0.00 C ATOM 1234 CD GLU A 77 -10.612 11.787 -11.453 1.00 0.00 C ATOM 1235 OE1 GLU A 77 -11.643 12.318 -11.003 1.00 0.00 O ATOM 1236 OE2 GLU A 77 -10.292 11.854 -12.659 1.00 0.00 O ATOM 0 H GLU A 77 -5.954 10.817 -9.859 1.00 0.00 H new ATOM 0 HA GLU A 77 -7.097 12.071 -8.427 1.00 0.00 H new ATOM 0 HB2 GLU A 77 -9.359 12.669 -9.165 1.00 0.00 H new ATOM 0 HB3 GLU A 77 -8.229 12.585 -10.501 1.00 0.00 H new ATOM 0 HG2 GLU A 77 -9.126 10.312 -11.063 1.00 0.00 H new ATOM 0 HG3 GLU A 77 -10.312 10.498 -9.785 1.00 0.00 H new ATOM 1243 N MET A 78 -7.637 9.761 -6.988 1.00 0.00 N ATOM 1244 CA MET A 78 -8.140 9.008 -5.862 1.00 0.00 C ATOM 1245 C MET A 78 -8.183 9.885 -4.606 1.00 0.00 C ATOM 1246 O MET A 78 -7.565 10.952 -4.553 1.00 0.00 O ATOM 1247 CB MET A 78 -7.278 7.759 -5.647 1.00 0.00 C ATOM 1248 CG MET A 78 -5.880 8.039 -5.132 1.00 0.00 C ATOM 1249 SD MET A 78 -4.671 6.827 -5.714 1.00 0.00 S ATOM 1250 CE MET A 78 -5.486 5.290 -5.311 1.00 0.00 C ATOM 0 H MET A 78 -6.652 9.595 -7.197 1.00 0.00 H new ATOM 0 HA MET A 78 -9.160 8.686 -6.071 1.00 0.00 H new ATOM 0 HB2 MET A 78 -7.785 7.100 -4.942 1.00 0.00 H new ATOM 0 HB3 MET A 78 -7.202 7.219 -6.591 1.00 0.00 H new ATOM 0 HG2 MET A 78 -5.572 9.035 -5.449 1.00 0.00 H new ATOM 0 HG3 MET A 78 -5.892 8.041 -4.042 1.00 0.00 H new ATOM 0 HE1 MET A 78 -4.780 4.466 -5.413 1.00 0.00 H new ATOM 0 HE2 MET A 78 -5.851 5.330 -4.285 1.00 0.00 H new ATOM 0 HE3 MET A 78 -6.325 5.134 -5.989 1.00 0.00 H new ATOM 1260 N GLU A 79 -8.918 9.443 -3.606 1.00 0.00 N ATOM 1261 CA GLU A 79 -9.092 10.203 -2.372 1.00 0.00 C ATOM 1262 C GLU A 79 -8.316 9.554 -1.247 1.00 0.00 C ATOM 1263 O GLU A 79 -7.848 8.423 -1.384 1.00 0.00 O ATOM 1264 CB GLU A 79 -10.564 10.209 -1.985 1.00 0.00 C ATOM 1265 CG GLU A 79 -11.062 8.836 -1.561 1.00 0.00 C ATOM 1266 CD GLU A 79 -12.503 8.833 -1.134 1.00 0.00 C ATOM 1267 OE1 GLU A 79 -12.774 9.114 0.048 1.00 0.00 O ATOM 1268 OE2 GLU A 79 -13.379 8.547 -1.973 1.00 0.00 O ATOM 0 H GLU A 79 -9.412 8.551 -3.619 1.00 0.00 H new ATOM 0 HA GLU A 79 -8.732 11.219 -2.536 1.00 0.00 H new ATOM 0 HB2 GLU A 79 -10.719 10.915 -1.170 1.00 0.00 H new ATOM 0 HB3 GLU A 79 -11.157 10.562 -2.829 1.00 0.00 H new ATOM 0 HG2 GLU A 79 -10.934 8.139 -2.389 1.00 0.00 H new ATOM 0 HG3 GLU A 79 -10.446 8.471 -0.739 1.00 0.00 H new ATOM 1275 N ASP A 80 -8.132 10.263 -0.137 1.00 0.00 N ATOM 1276 CA ASP A 80 -7.553 9.657 1.048 1.00 0.00 C ATOM 1277 C ASP A 80 -8.399 8.490 1.525 1.00 0.00 C ATOM 1278 O ASP A 80 -9.632 8.511 1.442 1.00 0.00 O ATOM 1279 CB ASP A 80 -7.411 10.686 2.180 1.00 0.00 C ATOM 1280 CG ASP A 80 -8.750 11.214 2.679 1.00 0.00 C ATOM 1281 OD1 ASP A 80 -9.374 12.030 1.966 1.00 0.00 O ATOM 1282 OD2 ASP A 80 -9.181 10.818 3.786 1.00 0.00 O ATOM 0 H ASP A 80 -8.374 11.249 -0.038 1.00 0.00 H new ATOM 0 HA ASP A 80 -6.562 9.291 0.779 1.00 0.00 H new ATOM 0 HB2 ASP A 80 -6.874 10.230 3.012 1.00 0.00 H new ATOM 0 HB3 ASP A 80 -6.805 11.522 1.829 1.00 0.00 H new ATOM 1287 N GLU A 81 -7.721 7.472 2.008 1.00 0.00 N ATOM 1288 CA GLU A 81 -8.330 6.260 2.508 1.00 0.00 C ATOM 1289 C GLU A 81 -8.946 5.444 1.394 1.00 0.00 C ATOM 1290 O GLU A 81 -9.802 4.587 1.629 1.00 0.00 O ATOM 1291 CB GLU A 81 -9.350 6.546 3.594 1.00 0.00 C ATOM 1292 CG GLU A 81 -8.748 7.037 4.881 1.00 0.00 C ATOM 1293 CD GLU A 81 -9.605 6.681 6.052 1.00 0.00 C ATOM 1294 OE1 GLU A 81 -9.464 5.550 6.571 1.00 0.00 O ATOM 1295 OE2 GLU A 81 -10.448 7.507 6.445 1.00 0.00 O ATOM 0 H GLU A 81 -6.703 7.465 2.065 1.00 0.00 H new ATOM 0 HA GLU A 81 -7.530 5.668 2.953 1.00 0.00 H new ATOM 0 HB2 GLU A 81 -10.057 7.290 3.228 1.00 0.00 H new ATOM 0 HB3 GLU A 81 -9.918 5.638 3.793 1.00 0.00 H new ATOM 0 HG2 GLU A 81 -7.756 6.604 5.009 1.00 0.00 H new ATOM 0 HG3 GLU A 81 -8.621 8.119 4.836 1.00 0.00 H new ATOM 1302 N ASP A 82 -8.523 5.709 0.178 1.00 0.00 N ATOM 1303 CA ASP A 82 -8.989 4.947 -0.960 1.00 0.00 C ATOM 1304 C ASP A 82 -8.576 3.479 -0.818 1.00 0.00 C ATOM 1305 O ASP A 82 -7.549 3.171 -0.208 1.00 0.00 O ATOM 1306 CB ASP A 82 -8.457 5.528 -2.266 1.00 0.00 C ATOM 1307 CG ASP A 82 -8.901 4.731 -3.425 1.00 0.00 C ATOM 1308 OD1 ASP A 82 -10.004 5.014 -3.951 1.00 0.00 O ATOM 1309 OD2 ASP A 82 -8.183 3.796 -3.804 1.00 0.00 O ATOM 0 H ASP A 82 -7.856 6.447 -0.049 1.00 0.00 H new ATOM 0 HA ASP A 82 -10.077 5.006 -0.987 1.00 0.00 H new ATOM 0 HB2 ASP A 82 -8.800 6.557 -2.376 1.00 0.00 H new ATOM 0 HB3 ASP A 82 -7.368 5.557 -2.237 1.00 0.00 H new ATOM 1314 N THR A 83 -9.378 2.576 -1.357 1.00 0.00 N ATOM 1315 CA THR A 83 -9.112 1.159 -1.245 1.00 0.00 C ATOM 1316 C THR A 83 -8.510 0.580 -2.538 1.00 0.00 C ATOM 1317 O THR A 83 -9.104 0.657 -3.621 1.00 0.00 O ATOM 1318 CB THR A 83 -10.396 0.401 -0.893 1.00 0.00 C ATOM 1319 OG1 THR A 83 -11.071 1.091 0.174 1.00 0.00 O ATOM 1320 CG2 THR A 83 -10.083 -1.024 -0.454 1.00 0.00 C ATOM 0 H THR A 83 -10.224 2.805 -1.879 1.00 0.00 H new ATOM 0 HA THR A 83 -8.380 1.033 -0.447 1.00 0.00 H new ATOM 0 HB THR A 83 -11.031 0.358 -1.778 1.00 0.00 H new ATOM 0 HG1 THR A 83 -11.895 0.612 0.403 1.00 0.00 H new ATOM 0 HG21 THR A 83 -11.011 -1.541 -0.209 1.00 0.00 H new ATOM 0 HG22 THR A 83 -9.576 -1.551 -1.262 1.00 0.00 H new ATOM 0 HG23 THR A 83 -9.438 -1.001 0.424 1.00 0.00 H new ATOM 1328 N ILE A 84 -7.336 -0.005 -2.408 1.00 0.00 N ATOM 1329 CA ILE A 84 -6.638 -0.620 -3.518 1.00 0.00 C ATOM 1330 C ILE A 84 -6.980 -2.095 -3.581 1.00 0.00 C ATOM 1331 O ILE A 84 -7.058 -2.766 -2.551 1.00 0.00 O ATOM 1332 CB ILE A 84 -5.103 -0.488 -3.367 1.00 0.00 C ATOM 1333 CG1 ILE A 84 -4.699 0.970 -3.112 1.00 0.00 C ATOM 1334 CG2 ILE A 84 -4.409 -1.031 -4.614 1.00 0.00 C ATOM 1335 CD1 ILE A 84 -4.814 1.861 -4.314 1.00 0.00 C ATOM 0 H ILE A 84 -6.836 -0.067 -1.521 1.00 0.00 H new ATOM 0 HA ILE A 84 -6.952 -0.108 -4.427 1.00 0.00 H new ATOM 0 HB ILE A 84 -4.787 -1.075 -2.505 1.00 0.00 H new ATOM 0 HG12 ILE A 84 -5.322 1.373 -2.314 1.00 0.00 H new ATOM 0 HG13 ILE A 84 -3.670 0.992 -2.755 1.00 0.00 H new ATOM 0 HG21 ILE A 84 -3.329 -0.935 -4.500 1.00 0.00 H new ATOM 0 HG22 ILE A 84 -4.668 -2.082 -4.746 1.00 0.00 H new ATOM 0 HG23 ILE A 84 -4.734 -0.465 -5.487 1.00 0.00 H new ATOM 0 HD11 ILE A 84 -4.510 2.873 -4.047 1.00 0.00 H new ATOM 0 HD12 ILE A 84 -4.169 1.486 -5.108 1.00 0.00 H new ATOM 0 HD13 ILE A 84 -5.847 1.872 -4.661 1.00 0.00 H new ATOM 1347 N ASP A 85 -7.182 -2.608 -4.775 1.00 0.00 N ATOM 1348 CA ASP A 85 -7.499 -4.011 -4.953 1.00 0.00 C ATOM 1349 C ASP A 85 -6.255 -4.800 -5.308 1.00 0.00 C ATOM 1350 O ASP A 85 -5.612 -4.543 -6.319 1.00 0.00 O ATOM 1351 CB ASP A 85 -8.542 -4.200 -6.053 1.00 0.00 C ATOM 1352 CG ASP A 85 -9.930 -3.770 -5.641 1.00 0.00 C ATOM 1353 OD1 ASP A 85 -10.610 -4.541 -4.931 1.00 0.00 O ATOM 1354 OD2 ASP A 85 -10.357 -2.666 -6.042 1.00 0.00 O ATOM 0 H ASP A 85 -7.132 -2.073 -5.642 1.00 0.00 H new ATOM 0 HA ASP A 85 -7.904 -4.378 -4.010 1.00 0.00 H new ATOM 0 HB2 ASP A 85 -8.239 -3.632 -6.933 1.00 0.00 H new ATOM 0 HB3 ASP A 85 -8.566 -5.250 -6.345 1.00 0.00 H new ATOM 1359 N VAL A 86 -5.905 -5.741 -4.474 1.00 0.00 N ATOM 1360 CA VAL A 86 -4.776 -6.612 -4.734 1.00 0.00 C ATOM 1361 C VAL A 86 -5.248 -8.022 -4.937 1.00 0.00 C ATOM 1362 O VAL A 86 -6.034 -8.556 -4.151 1.00 0.00 O ATOM 1363 CB VAL A 86 -3.725 -6.572 -3.604 1.00 0.00 C ATOM 1364 CG1 VAL A 86 -2.718 -7.703 -3.750 1.00 0.00 C ATOM 1365 CG2 VAL A 86 -3.011 -5.259 -3.633 1.00 0.00 C ATOM 0 H VAL A 86 -6.388 -5.931 -3.596 1.00 0.00 H new ATOM 0 HA VAL A 86 -4.294 -6.247 -5.641 1.00 0.00 H new ATOM 0 HB VAL A 86 -4.241 -6.695 -2.652 1.00 0.00 H new ATOM 0 HG11 VAL A 86 -1.990 -7.649 -2.940 1.00 0.00 H new ATOM 0 HG12 VAL A 86 -3.237 -8.660 -3.708 1.00 0.00 H new ATOM 0 HG13 VAL A 86 -2.204 -7.611 -4.707 1.00 0.00 H new ATOM 0 HG21 VAL A 86 -2.269 -5.231 -2.835 1.00 0.00 H new ATOM 0 HG22 VAL A 86 -2.514 -5.136 -4.595 1.00 0.00 H new ATOM 0 HG23 VAL A 86 -3.729 -4.451 -3.490 1.00 0.00 H new ATOM 1375 N PHE A 87 -4.748 -8.640 -5.965 1.00 0.00 N ATOM 1376 CA PHE A 87 -5.128 -9.976 -6.308 1.00 0.00 C ATOM 1377 C PHE A 87 -3.906 -10.775 -6.622 1.00 0.00 C ATOM 1378 O PHE A 87 -2.874 -10.220 -7.007 1.00 0.00 O ATOM 1379 CB PHE A 87 -6.121 -9.997 -7.480 1.00 0.00 C ATOM 1380 CG PHE A 87 -5.681 -9.202 -8.675 1.00 0.00 C ATOM 1381 CD1 PHE A 87 -5.895 -7.840 -8.722 1.00 0.00 C ATOM 1382 CD2 PHE A 87 -5.063 -9.816 -9.750 1.00 0.00 C ATOM 1383 CE1 PHE A 87 -5.501 -7.102 -9.810 1.00 0.00 C ATOM 1384 CE2 PHE A 87 -4.666 -9.080 -10.850 1.00 0.00 C ATOM 1385 CZ PHE A 87 -4.888 -7.719 -10.878 1.00 0.00 C ATOM 0 H PHE A 87 -4.059 -8.227 -6.594 1.00 0.00 H new ATOM 0 HA PHE A 87 -5.637 -10.424 -5.455 1.00 0.00 H new ATOM 0 HB2 PHE A 87 -6.283 -11.031 -7.785 1.00 0.00 H new ATOM 0 HB3 PHE A 87 -7.081 -9.612 -7.135 1.00 0.00 H new ATOM 0 HD1 PHE A 87 -6.379 -7.348 -7.891 1.00 0.00 H new ATOM 0 HD2 PHE A 87 -4.889 -10.882 -9.729 1.00 0.00 H new ATOM 0 HE1 PHE A 87 -5.672 -6.036 -9.829 1.00 0.00 H new ATOM 0 HE2 PHE A 87 -4.184 -9.568 -11.684 1.00 0.00 H new ATOM 0 HZ PHE A 87 -4.582 -7.138 -11.736 1.00 0.00 H new ATOM 1395 N GLN A 88 -3.990 -12.067 -6.428 1.00 0.00 N ATOM 1396 CA GLN A 88 -2.878 -12.953 -6.700 1.00 0.00 C ATOM 1397 C GLN A 88 -2.506 -12.916 -8.183 1.00 0.00 C ATOM 1398 O GLN A 88 -3.328 -12.584 -9.037 1.00 0.00 O ATOM 1399 CB GLN A 88 -3.223 -14.370 -6.285 1.00 0.00 C ATOM 1400 CG GLN A 88 -2.322 -14.955 -5.211 1.00 0.00 C ATOM 1401 CD GLN A 88 -2.587 -14.385 -3.826 1.00 0.00 C ATOM 1402 OE1 GLN A 88 -1.780 -13.430 -3.414 1.00 0.00 O flip ATOM 1403 NE2 GLN A 88 -3.479 -14.846 -3.118 1.00 0.00 N flip ATOM 0 H GLN A 88 -4.826 -12.536 -6.079 1.00 0.00 H new ATOM 0 HA GLN A 88 -2.020 -12.613 -6.121 1.00 0.00 H new ATOM 0 HB2 GLN A 88 -4.252 -14.388 -5.926 1.00 0.00 H new ATOM 0 HB3 GLN A 88 -3.181 -15.012 -7.165 1.00 0.00 H new ATOM 0 HG2 GLN A 88 -2.457 -16.036 -5.183 1.00 0.00 H new ATOM 0 HG3 GLN A 88 -1.282 -14.770 -5.479 1.00 0.00 H new ATOM 0 HE21 GLN A 88 -4.083 -15.586 -3.476 1.00 0.00 H new ATOM 0 HE22 GLN A 88 -3.616 -14.489 -2.172 1.00 0.00 H new ATOM 1412 N GLN A 89 -1.276 -13.299 -8.476 1.00 0.00 N ATOM 1413 CA GLN A 89 -0.746 -13.263 -9.848 1.00 0.00 C ATOM 1414 C GLN A 89 0.503 -14.110 -10.016 1.00 0.00 C ATOM 1415 O GLN A 89 1.227 -13.955 -11.001 1.00 0.00 O ATOM 1416 CB GLN A 89 -0.436 -11.824 -10.283 1.00 0.00 C ATOM 1417 CG GLN A 89 -1.601 -11.119 -10.954 1.00 0.00 C ATOM 1418 CD GLN A 89 -2.021 -11.791 -12.247 1.00 0.00 C ATOM 1419 OE1 GLN A 89 -1.201 -12.371 -12.959 1.00 0.00 O ATOM 1420 NE2 GLN A 89 -3.300 -11.730 -12.549 1.00 0.00 N ATOM 0 H GLN A 89 -0.612 -13.643 -7.782 1.00 0.00 H new ATOM 0 HA GLN A 89 -1.528 -13.681 -10.482 1.00 0.00 H new ATOM 0 HB2 GLN A 89 -0.131 -11.249 -9.409 1.00 0.00 H new ATOM 0 HB3 GLN A 89 0.412 -11.837 -10.968 1.00 0.00 H new ATOM 0 HG2 GLN A 89 -2.449 -11.094 -10.270 1.00 0.00 H new ATOM 0 HG3 GLN A 89 -1.326 -10.084 -11.159 1.00 0.00 H new ATOM 0 HE21 GLN A 89 -3.947 -11.239 -11.932 1.00 0.00 H new ATOM 0 HE22 GLN A 89 -3.645 -12.173 -13.400 1.00 0.00 H new