USER MOD reduce.3.24.130724 H: found=0, std=0, add=862, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 864 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 36 HIS : no HD1:sc= -5.11! K(o=-6.1!,f=-2.2) USER MOD Set 1.2: A 55 GLN : amide:sc= -1 K(o=-6.1,f=-2.2) USER MOD Set 2.1: A 20 LYS NZ :NH3+ -164:sc= 0.373 (180deg=0.233) USER MOD Set 2.2: A 44 GLN : amide:sc= -3.47! C(o=-3.1!,f=-3.4!) USER MOD Single : A 19 GLN : amide:sc= 0 K(o=0,f=-1) USER MOD Single : A 23 TYR OH : rot 165:sc= -0.971 USER MOD Single : A 24 THR OG1 : rot 59:sc= 1.29 USER MOD Single : A 28 ASN : amide:sc= -6.24! C(o=-6.2!,f=-14!) USER MOD Single : A 29 HIS : no HD1:sc= -0.716 K(o=-0.72,f=-2.1!) USER MOD Single : A 30 TYR OH : rot 180:sc= -0.727 USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 SER OG : rot -36:sc= 0.937 USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 48 THR OG1 : rot 180:sc= 0.00304 USER MOD Single : A 58 GLN : amide:sc= -0.0241 K(o=-0.024,f=-2.5!) USER MOD Single : A 62 ASN : amide:sc= -0.436 X(o=-0.44,f=-0.55) USER MOD Single : A 64 LYS NZ :NH3+ 152:sc= -0.0222 (180deg=-0.554) USER MOD Single : A 69 ASN : amide:sc= -3.15 K(o=-3.2,f=-1) USER MOD Single : A 71 CYS SG : rot 180:sc= 0 USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 ASN : amide:sc= -0.182 K(o=-0.18,f=-2.5!) USER MOD Single : A 76 SER OG : rot 180:sc= -0.114 USER MOD Single : A 77 GLN : amide:sc= -0.736 K(o=-0.74,f=-7.7!) USER MOD Single : A 78 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 81 ASN : amide:sc= -1.31 K(o=-1.3,f=-10!) USER MOD Single : A 85 CYS SG : rot 65:sc= 0.969 USER MOD Single : A 87 ASN : amide:sc= 1 K(o=1,f=-0.058) USER MOD Single : A 92 LYS NZ :NH3+ 152:sc= -1.05 (180deg=-2.75) USER MOD Single : A 100 SER OG : rot 13:sc= 1.11 USER MOD Single : A 106 ASN : amide:sc= 0 X(o=0,f=-0.074) USER MOD Single : A 108 ASN : amide:sc= -0.0419 K(o=-0.042,f=-1.1) USER MOD Single : A 110 LYS NZ :NH3+ 162:sc= -0.0147 (180deg=-0.114) USER MOD Single : A 118 SER OG : rot -81:sc= 0.227 USER MOD Single : A 120 SER OG : rot 77:sc= 0.021 USER MOD Single : A 122 TYR OH : rot 180:sc= 0 USER MOD Single : A 123 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 124 GLN : amide:sc= -0.505 X(o=-0.51,f=-0.51) USER MOD ----------------------------------------------------------------- ATOM 201 N GLY A 15 2.305 16.740 -5.357 1.00 0.00 N ATOM 202 CA GLY A 15 1.704 17.034 -4.070 1.00 0.00 C ATOM 203 C GLY A 15 1.081 15.809 -3.428 1.00 0.00 C ATOM 204 O GLY A 15 0.912 14.777 -4.078 1.00 0.00 O ATOM 0 HA2 GLY A 15 2.463 17.444 -3.403 1.00 0.00 H new ATOM 0 HA3 GLY A 15 0.941 17.802 -4.196 1.00 0.00 H new ATOM 208 N LEU A 16 0.742 15.922 -2.149 1.00 0.00 N ATOM 209 CA LEU A 16 0.136 14.815 -1.417 1.00 0.00 C ATOM 210 C LEU A 16 -0.897 14.095 -2.277 1.00 0.00 C ATOM 211 O LEU A 16 -0.816 12.883 -2.477 1.00 0.00 O ATOM 212 CB LEU A 16 -0.519 15.325 -0.132 1.00 0.00 C ATOM 213 CG LEU A 16 0.347 16.221 0.753 1.00 0.00 C ATOM 214 CD1 LEU A 16 -0.447 16.715 1.953 1.00 0.00 C ATOM 215 CD2 LEU A 16 1.594 15.476 1.208 1.00 0.00 C ATOM 0 H LEU A 16 0.876 16.769 -1.597 1.00 0.00 H new ATOM 0 HA LEU A 16 0.924 14.107 -1.159 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -1.420 15.876 -0.401 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -0.836 14.464 0.457 1.00 0.00 H new ATOM 0 HG LEU A 16 0.657 17.086 0.167 1.00 0.00 H new ATOM 0 HD11 LEU A 16 0.186 17.351 2.571 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -1.309 17.286 1.609 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -0.788 15.862 2.540 1.00 0.00 H new ATOM 0 HD21 LEU A 16 2.199 16.129 1.837 1.00 0.00 H new ATOM 0 HD22 LEU A 16 1.303 14.593 1.776 1.00 0.00 H new ATOM 0 HD23 LEU A 16 2.174 15.172 0.337 1.00 0.00 H new ATOM 227 N GLU A 17 -1.867 14.849 -2.785 1.00 0.00 N ATOM 228 CA GLU A 17 -2.915 14.282 -3.625 1.00 0.00 C ATOM 229 C GLU A 17 -2.319 13.594 -4.849 1.00 0.00 C ATOM 230 O GLU A 17 -2.801 12.547 -5.283 1.00 0.00 O ATOM 231 CB GLU A 17 -3.893 15.373 -4.066 1.00 0.00 C ATOM 232 CG GLU A 17 -3.214 16.587 -4.680 1.00 0.00 C ATOM 233 CD GLU A 17 -4.186 17.714 -4.969 1.00 0.00 C ATOM 234 OE1 GLU A 17 -4.784 17.716 -6.065 1.00 0.00 O ATOM 235 OE2 GLU A 17 -4.348 18.595 -4.098 1.00 0.00 O ATOM 0 H GLU A 17 -1.949 15.854 -2.629 1.00 0.00 H new ATOM 0 HA GLU A 17 -3.453 13.538 -3.037 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -4.591 14.953 -4.790 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -4.480 15.692 -3.205 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -2.438 16.946 -4.004 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -2.719 16.293 -5.605 1.00 0.00 H new ATOM 242 N ASP A 18 -1.267 14.189 -5.401 1.00 0.00 N ATOM 243 CA ASP A 18 -0.603 13.634 -6.575 1.00 0.00 C ATOM 244 C ASP A 18 0.042 12.291 -6.250 1.00 0.00 C ATOM 245 O ASP A 18 0.025 11.370 -7.067 1.00 0.00 O ATOM 246 CB ASP A 18 0.453 14.608 -7.098 1.00 0.00 C ATOM 247 CG ASP A 18 -0.108 15.579 -8.119 1.00 0.00 C ATOM 248 OD1 ASP A 18 -1.076 15.211 -8.816 1.00 0.00 O ATOM 249 OD2 ASP A 18 0.421 16.706 -8.221 1.00 0.00 O ATOM 0 H ASP A 18 -0.856 15.056 -5.054 1.00 0.00 H new ATOM 0 HA ASP A 18 -1.356 13.478 -7.348 1.00 0.00 H new ATOM 0 HB2 ASP A 18 0.873 15.167 -6.262 1.00 0.00 H new ATOM 0 HB3 ASP A 18 1.271 14.045 -7.548 1.00 0.00 H new ATOM 254 N GLN A 19 0.611 12.187 -5.053 1.00 0.00 N ATOM 255 CA GLN A 19 1.264 10.957 -4.622 1.00 0.00 C ATOM 256 C GLN A 19 0.275 9.796 -4.599 1.00 0.00 C ATOM 257 O GLN A 19 0.543 8.728 -5.151 1.00 0.00 O ATOM 258 CB GLN A 19 1.883 11.142 -3.235 1.00 0.00 C ATOM 259 CG GLN A 19 2.756 12.381 -3.120 1.00 0.00 C ATOM 260 CD GLN A 19 3.816 12.249 -2.044 1.00 0.00 C ATOM 261 OE1 GLN A 19 3.623 11.550 -1.048 1.00 0.00 O ATOM 262 NE2 GLN A 19 4.945 12.921 -2.239 1.00 0.00 N ATOM 0 H GLN A 19 0.633 12.940 -4.365 1.00 0.00 H new ATOM 0 HA GLN A 19 2.054 10.725 -5.336 1.00 0.00 H new ATOM 0 HB2 GLN A 19 1.085 11.200 -2.495 1.00 0.00 H new ATOM 0 HB3 GLN A 19 2.480 10.263 -2.992 1.00 0.00 H new ATOM 0 HG2 GLN A 19 3.238 12.571 -4.079 1.00 0.00 H new ATOM 0 HG3 GLN A 19 2.128 13.245 -2.902 1.00 0.00 H new ATOM 0 HE21 GLN A 19 5.062 13.488 -3.079 1.00 0.00 H new ATOM 0 HE22 GLN A 19 5.695 12.870 -1.549 1.00 0.00 H new ATOM 271 N LYS A 20 -0.868 10.011 -3.958 1.00 0.00 N ATOM 272 CA LYS A 20 -1.898 8.983 -3.863 1.00 0.00 C ATOM 273 C LYS A 20 -1.948 8.144 -5.136 1.00 0.00 C ATOM 274 O LYS A 20 -2.177 6.935 -5.085 1.00 0.00 O ATOM 275 CB LYS A 20 -3.265 9.623 -3.609 1.00 0.00 C ATOM 276 CG LYS A 20 -4.422 8.645 -3.705 1.00 0.00 C ATOM 277 CD LYS A 20 -5.702 9.336 -4.145 1.00 0.00 C ATOM 278 CE LYS A 20 -6.883 8.378 -4.142 1.00 0.00 C ATOM 279 NZ LYS A 20 -8.184 9.101 -4.125 1.00 0.00 N ATOM 0 H LYS A 20 -1.105 10.889 -3.496 1.00 0.00 H new ATOM 0 HA LYS A 20 -1.648 8.330 -3.027 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -3.266 10.077 -2.618 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -3.419 10.427 -4.328 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -4.173 7.854 -4.412 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -4.579 8.169 -2.737 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -5.911 10.174 -3.480 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -5.569 9.748 -5.145 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -6.834 7.739 -5.024 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -6.819 7.725 -3.271 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -8.943 8.444 -3.853 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -8.139 9.881 -3.438 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -8.381 9.484 -5.072 1.00 0.00 H new ATOM 293 N ARG A 21 -1.729 8.792 -6.276 1.00 0.00 N ATOM 294 CA ARG A 21 -1.749 8.104 -7.561 1.00 0.00 C ATOM 295 C ARG A 21 -0.473 7.292 -7.763 1.00 0.00 C ATOM 296 O ARG A 21 -0.513 6.064 -7.843 1.00 0.00 O ATOM 297 CB ARG A 21 -1.909 9.112 -8.700 1.00 0.00 C ATOM 298 CG ARG A 21 -1.915 8.476 -10.081 1.00 0.00 C ATOM 299 CD ARG A 21 -0.504 8.162 -10.555 1.00 0.00 C ATOM 300 NE ARG A 21 -0.419 8.096 -12.012 1.00 0.00 N ATOM 301 CZ ARG A 21 0.686 7.762 -12.669 1.00 0.00 C ATOM 302 NH1 ARG A 21 1.793 7.465 -12.002 1.00 0.00 N ATOM 303 NH2 ARG A 21 0.685 7.724 -13.995 1.00 0.00 N ATOM 0 H ARG A 21 -1.536 9.792 -6.335 1.00 0.00 H new ATOM 0 HA ARG A 21 -2.599 7.421 -7.566 1.00 0.00 H new ATOM 0 HB2 ARG A 21 -2.839 9.662 -8.559 1.00 0.00 H new ATOM 0 HB3 ARG A 21 -1.098 9.838 -8.647 1.00 0.00 H new ATOM 0 HG2 ARG A 21 -2.505 7.560 -10.058 1.00 0.00 H new ATOM 0 HG3 ARG A 21 -2.397 9.148 -10.791 1.00 0.00 H new ATOM 0 HD2 ARG A 21 0.181 8.925 -10.186 1.00 0.00 H new ATOM 0 HD3 ARG A 21 -0.181 7.212 -10.129 1.00 0.00 H new ATOM 0 HE ARG A 21 -1.254 8.319 -12.554 1.00 0.00 H new ATOM 0 HH11 ARG A 21 1.797 7.493 -10.982 1.00 0.00 H new ATOM 0 HH12 ARG A 21 2.640 7.209 -12.509 1.00 0.00 H new ATOM 0 HH21 ARG A 21 -0.165 7.951 -14.511 1.00 0.00 H new ATOM 0 HH22 ARG A 21 1.534 7.467 -14.498 1.00 0.00 H new ATOM 317 N ILE A 22 0.658 7.986 -7.844 1.00 0.00 N ATOM 318 CA ILE A 22 1.945 7.329 -8.035 1.00 0.00 C ATOM 319 C ILE A 22 1.981 5.976 -7.332 1.00 0.00 C ATOM 320 O ILE A 22 2.341 4.963 -7.932 1.00 0.00 O ATOM 321 CB ILE A 22 3.104 8.198 -7.512 1.00 0.00 C ATOM 322 CG1 ILE A 22 3.167 9.519 -8.281 1.00 0.00 C ATOM 323 CG2 ILE A 22 4.422 7.447 -7.628 1.00 0.00 C ATOM 324 CD1 ILE A 22 4.088 10.540 -7.653 1.00 0.00 C ATOM 0 H ILE A 22 0.709 9.003 -7.780 1.00 0.00 H new ATOM 0 HA ILE A 22 2.068 7.182 -9.108 1.00 0.00 H new ATOM 0 HB ILE A 22 2.926 8.421 -6.460 1.00 0.00 H new ATOM 0 HG12 ILE A 22 3.498 9.321 -9.300 1.00 0.00 H new ATOM 0 HG13 ILE A 22 2.164 9.939 -8.348 1.00 0.00 H new ATOM 0 HG21 ILE A 22 5.232 8.074 -7.255 1.00 0.00 H new ATOM 0 HG22 ILE A 22 4.372 6.531 -7.040 1.00 0.00 H new ATOM 0 HG23 ILE A 22 4.608 7.198 -8.673 1.00 0.00 H new ATOM 0 HD11 ILE A 22 4.083 11.451 -8.251 1.00 0.00 H new ATOM 0 HD12 ILE A 22 3.745 10.767 -6.643 1.00 0.00 H new ATOM 0 HD13 ILE A 22 5.101 10.139 -7.611 1.00 0.00 H new ATOM 336 N TYR A 23 1.604 5.967 -6.059 1.00 0.00 N ATOM 337 CA TYR A 23 1.594 4.738 -5.274 1.00 0.00 C ATOM 338 C TYR A 23 0.585 3.741 -5.835 1.00 0.00 C ATOM 339 O TYR A 23 0.905 2.573 -6.057 1.00 0.00 O ATOM 340 CB TYR A 23 1.265 5.045 -3.812 1.00 0.00 C ATOM 341 CG TYR A 23 2.357 5.805 -3.092 1.00 0.00 C ATOM 342 CD1 TYR A 23 3.677 5.375 -3.142 1.00 0.00 C ATOM 343 CD2 TYR A 23 2.068 6.950 -2.361 1.00 0.00 C ATOM 344 CE1 TYR A 23 4.678 6.065 -2.485 1.00 0.00 C ATOM 345 CE2 TYR A 23 3.062 7.647 -1.703 1.00 0.00 C ATOM 346 CZ TYR A 23 4.365 7.201 -1.768 1.00 0.00 C ATOM 347 OH TYR A 23 5.358 7.892 -1.112 1.00 0.00 O ATOM 0 H TYR A 23 1.301 6.796 -5.548 1.00 0.00 H new ATOM 0 HA TYR A 23 2.587 4.293 -5.331 1.00 0.00 H new ATOM 0 HB2 TYR A 23 0.342 5.624 -3.770 1.00 0.00 H new ATOM 0 HB3 TYR A 23 1.078 4.109 -3.286 1.00 0.00 H new ATOM 0 HD1 TYR A 23 3.925 4.487 -3.704 1.00 0.00 H new ATOM 0 HD2 TYR A 23 1.048 7.301 -2.306 1.00 0.00 H new ATOM 0 HE1 TYR A 23 5.699 5.717 -2.533 1.00 0.00 H new ATOM 0 HE2 TYR A 23 2.820 8.537 -1.141 1.00 0.00 H new ATOM 0 HH TYR A 23 5.027 8.779 -0.860 1.00 0.00 H new ATOM 357 N THR A 24 -0.637 4.211 -6.064 1.00 0.00 N ATOM 358 CA THR A 24 -1.695 3.362 -6.599 1.00 0.00 C ATOM 359 C THR A 24 -1.177 2.491 -7.737 1.00 0.00 C ATOM 360 O THR A 24 -1.415 1.283 -7.765 1.00 0.00 O ATOM 361 CB THR A 24 -2.883 4.200 -7.107 1.00 0.00 C ATOM 362 OG1 THR A 24 -3.528 4.853 -6.008 1.00 0.00 O ATOM 363 CG2 THR A 24 -3.886 3.324 -7.843 1.00 0.00 C ATOM 0 H THR A 24 -0.919 5.175 -5.887 1.00 0.00 H new ATOM 0 HA THR A 24 -2.033 2.724 -5.783 1.00 0.00 H new ATOM 0 HB THR A 24 -2.501 4.950 -7.800 1.00 0.00 H new ATOM 0 HG1 THR A 24 -2.886 5.434 -5.550 1.00 0.00 H new ATOM 0 HG21 THR A 24 -4.717 3.937 -8.193 1.00 0.00 H new ATOM 0 HG22 THR A 24 -3.399 2.851 -8.696 1.00 0.00 H new ATOM 0 HG23 THR A 24 -4.262 2.555 -7.168 1.00 0.00 H new ATOM 371 N ASP A 25 -0.468 3.110 -8.674 1.00 0.00 N ATOM 372 CA ASP A 25 0.085 2.390 -9.815 1.00 0.00 C ATOM 373 C ASP A 25 1.143 1.388 -9.364 1.00 0.00 C ATOM 374 O ASP A 25 1.171 0.248 -9.830 1.00 0.00 O ATOM 375 CB ASP A 25 0.690 3.371 -10.821 1.00 0.00 C ATOM 376 CG ASP A 25 0.973 2.725 -12.162 1.00 0.00 C ATOM 377 OD1 ASP A 25 0.265 1.760 -12.517 1.00 0.00 O ATOM 378 OD2 ASP A 25 1.904 3.184 -12.858 1.00 0.00 O ATOM 0 H ASP A 25 -0.263 4.109 -8.666 1.00 0.00 H new ATOM 0 HA ASP A 25 -0.726 1.843 -10.296 1.00 0.00 H new ATOM 0 HB2 ASP A 25 0.008 4.209 -10.962 1.00 0.00 H new ATOM 0 HB3 ASP A 25 1.616 3.778 -10.415 1.00 0.00 H new ATOM 383 N TRP A 26 2.011 1.820 -8.457 1.00 0.00 N ATOM 384 CA TRP A 26 3.072 0.960 -7.944 1.00 0.00 C ATOM 385 C TRP A 26 2.498 -0.334 -7.379 1.00 0.00 C ATOM 386 O TRP A 26 3.056 -1.412 -7.583 1.00 0.00 O ATOM 387 CB TRP A 26 3.872 1.692 -6.865 1.00 0.00 C ATOM 388 CG TRP A 26 4.981 0.866 -6.286 1.00 0.00 C ATOM 389 CD1 TRP A 26 6.258 0.761 -6.758 1.00 0.00 C ATOM 390 CD2 TRP A 26 4.910 0.028 -5.127 1.00 0.00 C ATOM 391 NE1 TRP A 26 6.985 -0.091 -5.963 1.00 0.00 N ATOM 392 CE2 TRP A 26 6.181 -0.553 -4.955 1.00 0.00 C ATOM 393 CE3 TRP A 26 3.897 -0.286 -4.217 1.00 0.00 C ATOM 394 CZ2 TRP A 26 6.463 -1.431 -3.911 1.00 0.00 C ATOM 395 CZ3 TRP A 26 4.178 -1.157 -3.182 1.00 0.00 C ATOM 396 CH2 TRP A 26 5.452 -1.720 -3.035 1.00 0.00 C ATOM 0 H TRP A 26 2.002 2.760 -8.061 1.00 0.00 H new ATOM 0 HA TRP A 26 3.736 0.710 -8.772 1.00 0.00 H new ATOM 0 HB2 TRP A 26 4.291 2.604 -7.289 1.00 0.00 H new ATOM 0 HB3 TRP A 26 3.197 1.994 -6.064 1.00 0.00 H new ATOM 0 HD1 TRP A 26 6.640 1.273 -7.629 1.00 0.00 H new ATOM 0 HE1 TRP A 26 7.965 -0.339 -6.101 1.00 0.00 H new ATOM 0 HE3 TRP A 26 2.912 0.145 -4.321 1.00 0.00 H new ATOM 0 HZ2 TRP A 26 7.444 -1.868 -3.797 1.00 0.00 H new ATOM 0 HZ3 TRP A 26 3.402 -1.408 -2.474 1.00 0.00 H new ATOM 0 HH2 TRP A 26 5.640 -2.396 -2.214 1.00 0.00 H new ATOM 407 N ALA A 27 1.381 -0.221 -6.669 1.00 0.00 N ATOM 408 CA ALA A 27 0.731 -1.383 -6.077 1.00 0.00 C ATOM 409 C ALA A 27 -0.032 -2.181 -7.129 1.00 0.00 C ATOM 410 O ALA A 27 0.208 -3.374 -7.312 1.00 0.00 O ATOM 411 CB ALA A 27 -0.205 -0.951 -4.958 1.00 0.00 C ATOM 0 H ALA A 27 0.907 0.664 -6.490 1.00 0.00 H new ATOM 0 HA ALA A 27 1.505 -2.028 -5.660 1.00 0.00 H new ATOM 0 HB1 ALA A 27 -0.684 -1.829 -4.525 1.00 0.00 H new ATOM 0 HB2 ALA A 27 0.364 -0.431 -4.188 1.00 0.00 H new ATOM 0 HB3 ALA A 27 -0.967 -0.283 -5.359 1.00 0.00 H new ATOM 417 N ASN A 28 -0.953 -1.514 -7.817 1.00 0.00 N ATOM 418 CA ASN A 28 -1.753 -2.162 -8.851 1.00 0.00 C ATOM 419 C ASN A 28 -0.908 -3.146 -9.655 1.00 0.00 C ATOM 420 O ASN A 28 -1.368 -4.232 -10.008 1.00 0.00 O ATOM 421 CB ASN A 28 -2.364 -1.115 -9.784 1.00 0.00 C ATOM 422 CG ASN A 28 -3.675 -0.565 -9.257 1.00 0.00 C ATOM 423 OD1 ASN A 28 -4.593 -1.320 -8.934 1.00 0.00 O ATOM 424 ND2 ASN A 28 -3.769 0.756 -9.166 1.00 0.00 N ATOM 0 H ASN A 28 -1.164 -0.526 -7.678 1.00 0.00 H new ATOM 0 HA ASN A 28 -2.555 -2.714 -8.362 1.00 0.00 H new ATOM 0 HB2 ASN A 28 -1.658 -0.296 -9.919 1.00 0.00 H new ATOM 0 HB3 ASN A 28 -2.528 -1.559 -10.766 1.00 0.00 H new ATOM 0 HD21 ASN A 28 -4.627 1.183 -8.817 1.00 0.00 H new ATOM 0 HD22 ASN A 28 -2.983 1.344 -9.445 1.00 0.00 H new ATOM 431 N HIS A 29 0.331 -2.757 -9.941 1.00 0.00 N ATOM 432 CA HIS A 29 1.241 -3.605 -10.703 1.00 0.00 C ATOM 433 C HIS A 29 1.379 -4.977 -10.051 1.00 0.00 C ATOM 434 O HIS A 29 1.351 -6.004 -10.730 1.00 0.00 O ATOM 435 CB HIS A 29 2.613 -2.941 -10.819 1.00 0.00 C ATOM 436 CG HIS A 29 3.738 -3.917 -10.982 1.00 0.00 C ATOM 437 ND1 HIS A 29 3.682 -4.994 -11.840 1.00 0.00 N ATOM 438 CD2 HIS A 29 4.955 -3.971 -10.392 1.00 0.00 C ATOM 439 CE1 HIS A 29 4.814 -5.671 -11.770 1.00 0.00 C ATOM 440 NE2 HIS A 29 5.605 -5.070 -10.898 1.00 0.00 N ATOM 0 H HIS A 29 0.727 -1.861 -9.657 1.00 0.00 H new ATOM 0 HA HIS A 29 0.825 -3.738 -11.702 1.00 0.00 H new ATOM 0 HB2 HIS A 29 2.607 -2.260 -11.670 1.00 0.00 H new ATOM 0 HB3 HIS A 29 2.792 -2.338 -9.929 1.00 0.00 H new ATOM 0 HD2 HIS A 29 5.343 -3.279 -9.659 1.00 0.00 H new ATOM 0 HE1 HIS A 29 5.053 -6.563 -12.330 1.00 0.00 H new ATOM 0 HE2 HIS A 29 6.545 -5.373 -10.643 1.00 0.00 H new ATOM 449 N TYR A 30 1.530 -4.987 -8.731 1.00 0.00 N ATOM 450 CA TYR A 30 1.677 -6.233 -7.988 1.00 0.00 C ATOM 451 C TYR A 30 0.369 -7.018 -7.978 1.00 0.00 C ATOM 452 O TYR A 30 0.365 -8.239 -7.811 1.00 0.00 O ATOM 453 CB TYR A 30 2.123 -5.946 -6.553 1.00 0.00 C ATOM 454 CG TYR A 30 3.553 -5.463 -6.449 1.00 0.00 C ATOM 455 CD1 TYR A 30 4.616 -6.349 -6.578 1.00 0.00 C ATOM 456 CD2 TYR A 30 3.840 -4.123 -6.221 1.00 0.00 C ATOM 457 CE1 TYR A 30 5.924 -5.913 -6.483 1.00 0.00 C ATOM 458 CE2 TYR A 30 5.144 -3.679 -6.126 1.00 0.00 C ATOM 459 CZ TYR A 30 6.182 -4.577 -6.257 1.00 0.00 C ATOM 460 OH TYR A 30 7.483 -4.138 -6.162 1.00 0.00 O ATOM 0 H TYR A 30 1.554 -4.146 -8.154 1.00 0.00 H new ATOM 0 HA TYR A 30 2.438 -6.835 -8.484 1.00 0.00 H new ATOM 0 HB2 TYR A 30 1.462 -5.195 -6.119 1.00 0.00 H new ATOM 0 HB3 TYR A 30 2.010 -6.852 -5.958 1.00 0.00 H new ATOM 0 HD1 TYR A 30 4.417 -7.395 -6.755 1.00 0.00 H new ATOM 0 HD2 TYR A 30 3.030 -3.417 -6.116 1.00 0.00 H new ATOM 0 HE1 TYR A 30 6.739 -6.614 -6.585 1.00 0.00 H new ATOM 0 HE2 TYR A 30 5.350 -2.634 -5.950 1.00 0.00 H new ATOM 0 HH TYR A 30 7.491 -3.171 -6.003 1.00 0.00 H new ATOM 470 N LEU A 31 -0.740 -6.310 -8.158 1.00 0.00 N ATOM 471 CA LEU A 31 -2.056 -6.938 -8.171 1.00 0.00 C ATOM 472 C LEU A 31 -2.337 -7.587 -9.523 1.00 0.00 C ATOM 473 O LEU A 31 -2.610 -8.784 -9.603 1.00 0.00 O ATOM 474 CB LEU A 31 -3.140 -5.906 -7.852 1.00 0.00 C ATOM 475 CG LEU A 31 -3.393 -5.634 -6.369 1.00 0.00 C ATOM 476 CD1 LEU A 31 -4.511 -4.619 -6.196 1.00 0.00 C ATOM 477 CD2 LEU A 31 -3.726 -6.927 -5.639 1.00 0.00 C ATOM 0 H LEU A 31 -0.754 -5.300 -8.297 1.00 0.00 H new ATOM 0 HA LEU A 31 -2.067 -7.715 -7.407 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -2.870 -4.965 -8.332 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -4.074 -6.239 -8.304 1.00 0.00 H new ATOM 0 HG LEU A 31 -2.483 -5.219 -5.935 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -4.677 -4.438 -5.134 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -4.233 -3.685 -6.684 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -5.426 -5.005 -6.646 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -3.903 -6.714 -4.585 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -4.621 -7.371 -6.075 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -2.893 -7.623 -5.734 1.00 0.00 H new ATOM 489 N ALA A 32 -2.266 -6.788 -10.582 1.00 0.00 N ATOM 490 CA ALA A 32 -2.508 -7.285 -11.931 1.00 0.00 C ATOM 491 C ALA A 32 -1.567 -8.436 -12.269 1.00 0.00 C ATOM 492 O ALA A 32 -2.001 -9.488 -12.739 1.00 0.00 O ATOM 493 CB ALA A 32 -2.353 -6.159 -12.944 1.00 0.00 C ATOM 0 H ALA A 32 -2.043 -5.794 -10.532 1.00 0.00 H new ATOM 0 HA ALA A 32 -3.530 -7.661 -11.975 1.00 0.00 H new ATOM 0 HB1 ALA A 32 -2.536 -6.544 -13.947 1.00 0.00 H new ATOM 0 HB2 ALA A 32 -3.070 -5.369 -12.722 1.00 0.00 H new ATOM 0 HB3 ALA A 32 -1.341 -5.757 -12.889 1.00 0.00 H new ATOM 499 N LYS A 33 -0.277 -8.231 -12.027 1.00 0.00 N ATOM 500 CA LYS A 33 0.726 -9.251 -12.305 1.00 0.00 C ATOM 501 C LYS A 33 0.280 -10.611 -11.777 1.00 0.00 C ATOM 502 O LYS A 33 0.502 -11.639 -12.417 1.00 0.00 O ATOM 503 CB LYS A 33 2.067 -8.863 -11.677 1.00 0.00 C ATOM 504 CG LYS A 33 2.207 -9.298 -10.228 1.00 0.00 C ATOM 505 CD LYS A 33 3.561 -8.910 -9.658 1.00 0.00 C ATOM 506 CE LYS A 33 4.683 -9.729 -10.278 1.00 0.00 C ATOM 507 NZ LYS A 33 5.818 -9.920 -9.333 1.00 0.00 N ATOM 0 H LYS A 33 0.099 -7.366 -11.638 1.00 0.00 H new ATOM 0 HA LYS A 33 0.845 -9.322 -13.386 1.00 0.00 H new ATOM 0 HB2 LYS A 33 2.874 -9.306 -12.261 1.00 0.00 H new ATOM 0 HB3 LYS A 33 2.187 -7.781 -11.736 1.00 0.00 H new ATOM 0 HG2 LYS A 33 1.416 -8.842 -9.632 1.00 0.00 H new ATOM 0 HG3 LYS A 33 2.077 -10.378 -10.157 1.00 0.00 H new ATOM 0 HD2 LYS A 33 3.742 -7.850 -9.836 1.00 0.00 H new ATOM 0 HD3 LYS A 33 3.557 -9.055 -8.578 1.00 0.00 H new ATOM 0 HE2 LYS A 33 4.297 -10.702 -10.583 1.00 0.00 H new ATOM 0 HE3 LYS A 33 5.041 -9.231 -11.179 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 6.562 -10.483 -9.793 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 6.203 -8.993 -9.061 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 5.483 -10.418 -8.484 1.00 0.00 H new ATOM 521 N SER A 34 -0.352 -10.608 -10.608 1.00 0.00 N ATOM 522 CA SER A 34 -0.828 -11.842 -9.994 1.00 0.00 C ATOM 523 C SER A 34 -2.260 -12.146 -10.423 1.00 0.00 C ATOM 524 O SER A 34 -3.038 -12.724 -9.665 1.00 0.00 O ATOM 525 CB SER A 34 -0.752 -11.740 -8.469 1.00 0.00 C ATOM 526 OG SER A 34 -1.810 -10.949 -7.957 1.00 0.00 O ATOM 0 H SER A 34 -0.546 -9.765 -10.067 1.00 0.00 H new ATOM 0 HA SER A 34 -0.186 -12.656 -10.330 1.00 0.00 H new ATOM 0 HB2 SER A 34 -0.796 -12.738 -8.032 1.00 0.00 H new ATOM 0 HB3 SER A 34 0.204 -11.306 -8.178 1.00 0.00 H new ATOM 0 HG SER A 34 -1.994 -10.210 -8.574 1.00 0.00 H new ATOM 532 N GLY A 35 -2.601 -11.751 -11.646 1.00 0.00 N ATOM 533 CA GLY A 35 -3.939 -11.988 -12.156 1.00 0.00 C ATOM 534 C GLY A 35 -5.016 -11.495 -11.211 1.00 0.00 C ATOM 535 O GLY A 35 -5.830 -12.280 -10.722 1.00 0.00 O ATOM 0 H GLY A 35 -1.975 -11.271 -12.293 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -4.050 -11.491 -13.120 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -4.074 -13.055 -12.330 1.00 0.00 H new ATOM 539 N HIS A 36 -5.022 -10.192 -10.951 1.00 0.00 N ATOM 540 CA HIS A 36 -6.007 -9.595 -10.056 1.00 0.00 C ATOM 541 C HIS A 36 -6.848 -8.554 -10.790 1.00 0.00 C ATOM 542 O HIS A 36 -6.544 -7.361 -10.758 1.00 0.00 O ATOM 543 CB HIS A 36 -5.313 -8.953 -8.854 1.00 0.00 C ATOM 544 CG HIS A 36 -6.265 -8.384 -7.847 1.00 0.00 C ATOM 545 ND1 HIS A 36 -7.053 -9.166 -7.030 1.00 0.00 N ATOM 546 CD2 HIS A 36 -6.551 -7.100 -7.526 1.00 0.00 C ATOM 547 CE1 HIS A 36 -7.784 -8.389 -6.251 1.00 0.00 C ATOM 548 NE2 HIS A 36 -7.498 -7.130 -6.532 1.00 0.00 N ATOM 0 H HIS A 36 -4.356 -9.529 -11.347 1.00 0.00 H new ATOM 0 HA HIS A 36 -6.668 -10.387 -9.703 1.00 0.00 H new ATOM 0 HB2 HIS A 36 -4.684 -9.698 -8.367 1.00 0.00 H new ATOM 0 HB3 HIS A 36 -4.653 -8.160 -9.206 1.00 0.00 H new ATOM 0 HD2 HIS A 36 -6.115 -6.217 -7.969 1.00 0.00 H new ATOM 0 HE1 HIS A 36 -8.494 -8.726 -5.510 1.00 0.00 H new ATOM 0 HE2 HIS A 36 -7.913 -6.313 -6.084 1.00 0.00 H new ATOM 557 N LYS A 37 -7.905 -9.013 -11.450 1.00 0.00 N ATOM 558 CA LYS A 37 -8.790 -8.123 -12.192 1.00 0.00 C ATOM 559 C LYS A 37 -8.976 -6.802 -11.453 1.00 0.00 C ATOM 560 O LYS A 37 -8.468 -5.765 -11.879 1.00 0.00 O ATOM 561 CB LYS A 37 -10.149 -8.791 -12.415 1.00 0.00 C ATOM 562 CG LYS A 37 -10.093 -9.987 -13.349 1.00 0.00 C ATOM 563 CD LYS A 37 -11.434 -10.233 -14.020 1.00 0.00 C ATOM 564 CE LYS A 37 -11.628 -11.705 -14.353 1.00 0.00 C ATOM 565 NZ LYS A 37 -12.814 -11.924 -15.227 1.00 0.00 N ATOM 0 H LYS A 37 -8.170 -9.997 -11.486 1.00 0.00 H new ATOM 0 HA LYS A 37 -8.331 -7.917 -13.159 1.00 0.00 H new ATOM 0 HB2 LYS A 37 -10.550 -9.110 -11.453 1.00 0.00 H new ATOM 0 HB3 LYS A 37 -10.844 -8.056 -12.821 1.00 0.00 H new ATOM 0 HG2 LYS A 37 -9.330 -9.821 -14.109 1.00 0.00 H new ATOM 0 HG3 LYS A 37 -9.797 -10.874 -12.789 1.00 0.00 H new ATOM 0 HD2 LYS A 37 -12.237 -9.898 -13.364 1.00 0.00 H new ATOM 0 HD3 LYS A 37 -11.500 -9.640 -14.933 1.00 0.00 H new ATOM 0 HE2 LYS A 37 -10.736 -12.086 -14.850 1.00 0.00 H new ATOM 0 HE3 LYS A 37 -11.747 -12.274 -13.431 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 -12.912 -12.939 -15.431 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 -13.669 -11.584 -14.743 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 -12.690 -11.402 -16.118 1.00 0.00 H new ATOM 579 N ARG A 38 -9.707 -6.847 -10.344 1.00 0.00 N ATOM 580 CA ARG A 38 -9.959 -5.653 -9.546 1.00 0.00 C ATOM 581 C ARG A 38 -8.684 -4.830 -9.380 1.00 0.00 C ATOM 582 O ARG A 38 -7.578 -5.373 -9.380 1.00 0.00 O ATOM 583 CB ARG A 38 -10.512 -6.039 -8.173 1.00 0.00 C ATOM 584 CG ARG A 38 -10.549 -4.884 -7.185 1.00 0.00 C ATOM 585 CD ARG A 38 -11.014 -5.341 -5.811 1.00 0.00 C ATOM 586 NE ARG A 38 -12.313 -6.007 -5.866 1.00 0.00 N ATOM 587 CZ ARG A 38 -13.035 -6.299 -4.791 1.00 0.00 C ATOM 588 NH1 ARG A 38 -12.588 -5.985 -3.583 1.00 0.00 N ATOM 589 NH2 ARG A 38 -14.208 -6.906 -4.922 1.00 0.00 N ATOM 0 H ARG A 38 -10.135 -7.697 -9.978 1.00 0.00 H new ATOM 0 HA ARG A 38 -10.697 -5.046 -10.070 1.00 0.00 H new ATOM 0 HB2 ARG A 38 -11.520 -6.434 -8.295 1.00 0.00 H new ATOM 0 HB3 ARG A 38 -9.903 -6.842 -7.758 1.00 0.00 H new ATOM 0 HG2 ARG A 38 -9.557 -4.440 -7.105 1.00 0.00 H new ATOM 0 HG3 ARG A 38 -11.217 -4.107 -7.557 1.00 0.00 H new ATOM 0 HD2 ARG A 38 -10.276 -6.021 -5.386 1.00 0.00 H new ATOM 0 HD3 ARG A 38 -11.076 -4.481 -5.145 1.00 0.00 H new ATOM 0 HE ARG A 38 -12.686 -6.262 -6.781 1.00 0.00 H new ATOM 0 HH11 ARG A 38 -11.687 -5.518 -3.478 1.00 0.00 H new ATOM 0 HH12 ARG A 38 -13.145 -6.210 -2.759 1.00 0.00 H new ATOM 0 HH21 ARG A 38 -14.556 -7.149 -5.850 1.00 0.00 H new ATOM 0 HH22 ARG A 38 -14.762 -7.130 -4.095 1.00 0.00 H new ATOM 603 N LEU A 39 -8.847 -3.520 -9.239 1.00 0.00 N ATOM 604 CA LEU A 39 -7.709 -2.621 -9.073 1.00 0.00 C ATOM 605 C LEU A 39 -7.950 -1.644 -7.927 1.00 0.00 C ATOM 606 O LEU A 39 -8.998 -1.677 -7.280 1.00 0.00 O ATOM 607 CB LEU A 39 -7.448 -1.851 -10.368 1.00 0.00 C ATOM 608 CG LEU A 39 -6.723 -2.621 -11.472 1.00 0.00 C ATOM 609 CD1 LEU A 39 -6.789 -1.859 -12.786 1.00 0.00 C ATOM 610 CD2 LEU A 39 -5.277 -2.883 -11.077 1.00 0.00 C ATOM 0 H LEU A 39 -9.755 -3.056 -9.236 1.00 0.00 H new ATOM 0 HA LEU A 39 -6.833 -3.224 -8.834 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -8.404 -1.506 -10.761 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -6.863 -0.963 -10.128 1.00 0.00 H new ATOM 0 HG LEU A 39 -7.222 -3.581 -11.607 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -6.268 -2.422 -13.560 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -7.831 -1.723 -13.076 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -6.316 -0.885 -12.666 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -4.776 -3.432 -11.874 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -4.767 -1.934 -10.914 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -5.251 -3.471 -10.160 1.00 0.00 H new ATOM 622 N ILE A 40 -6.975 -0.775 -7.682 1.00 0.00 N ATOM 623 CA ILE A 40 -7.084 0.213 -6.616 1.00 0.00 C ATOM 624 C ILE A 40 -7.562 1.556 -7.158 1.00 0.00 C ATOM 625 O ILE A 40 -6.816 2.265 -7.834 1.00 0.00 O ATOM 626 CB ILE A 40 -5.737 0.413 -5.895 1.00 0.00 C ATOM 627 CG1 ILE A 40 -5.361 -0.847 -5.113 1.00 0.00 C ATOM 628 CG2 ILE A 40 -5.807 1.618 -4.968 1.00 0.00 C ATOM 629 CD1 ILE A 40 -3.932 -0.844 -4.615 1.00 0.00 C ATOM 0 H ILE A 40 -6.101 -0.735 -8.207 1.00 0.00 H new ATOM 0 HA ILE A 40 -7.815 -0.170 -5.904 1.00 0.00 H new ATOM 0 HB ILE A 40 -4.965 0.598 -6.642 1.00 0.00 H new ATOM 0 HG12 ILE A 40 -6.034 -0.951 -4.262 1.00 0.00 H new ATOM 0 HG13 ILE A 40 -5.514 -1.719 -5.749 1.00 0.00 H new ATOM 0 HG21 ILE A 40 -4.848 1.747 -4.466 1.00 0.00 H new ATOM 0 HG22 ILE A 40 -6.035 2.511 -5.549 1.00 0.00 H new ATOM 0 HG23 ILE A 40 -6.588 1.460 -4.224 1.00 0.00 H new ATOM 0 HD11 ILE A 40 -3.735 -1.767 -4.070 1.00 0.00 H new ATOM 0 HD12 ILE A 40 -3.251 -0.771 -5.463 1.00 0.00 H new ATOM 0 HD13 ILE A 40 -3.779 0.008 -3.953 1.00 0.00 H new ATOM 641 N ARG A 41 -8.809 1.900 -6.856 1.00 0.00 N ATOM 642 CA ARG A 41 -9.387 3.158 -7.312 1.00 0.00 C ATOM 643 C ARG A 41 -9.006 4.302 -6.377 1.00 0.00 C ATOM 644 O ARG A 41 -8.405 5.290 -6.801 1.00 0.00 O ATOM 645 CB ARG A 41 -10.910 3.043 -7.400 1.00 0.00 C ATOM 646 CG ARG A 41 -11.405 2.511 -8.735 1.00 0.00 C ATOM 647 CD ARG A 41 -11.323 3.572 -9.821 1.00 0.00 C ATOM 648 NE ARG A 41 -12.503 4.433 -9.836 1.00 0.00 N ATOM 649 CZ ARG A 41 -13.707 4.022 -10.217 1.00 0.00 C ATOM 650 NH1 ARG A 41 -13.890 2.769 -10.612 1.00 0.00 N ATOM 651 NH2 ARG A 41 -14.732 4.865 -10.203 1.00 0.00 N ATOM 0 H ARG A 41 -9.439 1.325 -6.297 1.00 0.00 H new ATOM 0 HA ARG A 41 -8.988 3.373 -8.303 1.00 0.00 H new ATOM 0 HB2 ARG A 41 -11.263 2.387 -6.604 1.00 0.00 H new ATOM 0 HB3 ARG A 41 -11.351 4.024 -7.224 1.00 0.00 H new ATOM 0 HG2 ARG A 41 -10.811 1.644 -9.026 1.00 0.00 H new ATOM 0 HG3 ARG A 41 -12.436 2.171 -8.633 1.00 0.00 H new ATOM 0 HD2 ARG A 41 -10.432 4.181 -9.666 1.00 0.00 H new ATOM 0 HD3 ARG A 41 -11.214 3.089 -10.792 1.00 0.00 H new ATOM 0 HE ARG A 41 -12.396 5.403 -9.538 1.00 0.00 H new ATOM 0 HH11 ARG A 41 -13.105 2.118 -10.624 1.00 0.00 H new ATOM 0 HH12 ARG A 41 -14.816 2.456 -10.904 1.00 0.00 H new ATOM 0 HH21 ARG A 41 -14.595 5.829 -9.900 1.00 0.00 H new ATOM 0 HH22 ARG A 41 -15.656 4.549 -10.496 1.00 0.00 H new ATOM 665 N ASP A 42 -9.359 4.162 -5.104 1.00 0.00 N ATOM 666 CA ASP A 42 -9.053 5.183 -4.109 1.00 0.00 C ATOM 667 C ASP A 42 -8.078 4.649 -3.065 1.00 0.00 C ATOM 668 O ASP A 42 -8.468 3.920 -2.151 1.00 0.00 O ATOM 669 CB ASP A 42 -10.336 5.663 -3.429 1.00 0.00 C ATOM 670 CG ASP A 42 -10.980 6.824 -4.160 1.00 0.00 C ATOM 671 OD1 ASP A 42 -11.538 6.601 -5.255 1.00 0.00 O ATOM 672 OD2 ASP A 42 -10.926 7.957 -3.637 1.00 0.00 O ATOM 0 H ASP A 42 -9.857 3.351 -4.737 1.00 0.00 H new ATOM 0 HA ASP A 42 -8.585 6.025 -4.620 1.00 0.00 H new ATOM 0 HB2 ASP A 42 -11.044 4.836 -3.371 1.00 0.00 H new ATOM 0 HB3 ASP A 42 -10.111 5.962 -2.405 1.00 0.00 H new ATOM 677 N LEU A 43 -6.809 5.016 -3.205 1.00 0.00 N ATOM 678 CA LEU A 43 -5.777 4.573 -2.274 1.00 0.00 C ATOM 679 C LEU A 43 -6.254 4.700 -0.831 1.00 0.00 C ATOM 680 O LEU A 43 -6.018 3.814 -0.010 1.00 0.00 O ATOM 681 CB LEU A 43 -4.498 5.389 -2.474 1.00 0.00 C ATOM 682 CG LEU A 43 -3.208 4.752 -1.957 1.00 0.00 C ATOM 683 CD1 LEU A 43 -2.867 3.508 -2.764 1.00 0.00 C ATOM 684 CD2 LEU A 43 -2.063 5.752 -2.006 1.00 0.00 C ATOM 0 H LEU A 43 -6.470 5.619 -3.954 1.00 0.00 H new ATOM 0 HA LEU A 43 -5.567 3.523 -2.476 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -4.380 5.587 -3.539 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -4.626 6.354 -1.983 1.00 0.00 H new ATOM 0 HG LEU A 43 -3.361 4.456 -0.919 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -1.946 3.068 -2.382 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -3.678 2.785 -2.678 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -2.733 3.779 -3.811 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -1.153 5.281 -1.634 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -1.909 6.078 -3.034 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -2.306 6.614 -1.384 1.00 0.00 H new ATOM 696 N GLN A 44 -6.929 5.805 -0.532 1.00 0.00 N ATOM 697 CA GLN A 44 -7.441 6.046 0.812 1.00 0.00 C ATOM 698 C GLN A 44 -8.531 5.041 1.168 1.00 0.00 C ATOM 699 O GLN A 44 -8.712 4.696 2.336 1.00 0.00 O ATOM 700 CB GLN A 44 -7.988 7.470 0.924 1.00 0.00 C ATOM 701 CG GLN A 44 -6.905 8.536 0.972 1.00 0.00 C ATOM 702 CD GLN A 44 -7.380 9.875 0.441 1.00 0.00 C ATOM 703 OE1 GLN A 44 -7.621 10.031 -0.756 1.00 0.00 O ATOM 704 NE2 GLN A 44 -7.518 10.850 1.332 1.00 0.00 N ATOM 0 H GLN A 44 -7.134 6.547 -1.201 1.00 0.00 H new ATOM 0 HA GLN A 44 -6.617 5.924 1.515 1.00 0.00 H new ATOM 0 HB2 GLN A 44 -8.642 7.667 0.075 1.00 0.00 H new ATOM 0 HB3 GLN A 44 -8.600 7.545 1.823 1.00 0.00 H new ATOM 0 HG2 GLN A 44 -6.565 8.657 2.001 1.00 0.00 H new ATOM 0 HG3 GLN A 44 -6.046 8.202 0.390 1.00 0.00 H new ATOM 0 HE21 GLN A 44 -7.307 10.676 2.315 1.00 0.00 H new ATOM 0 HE22 GLN A 44 -7.835 11.772 1.034 1.00 0.00 H new ATOM 713 N GLN A 45 -9.252 4.574 0.154 1.00 0.00 N ATOM 714 CA GLN A 45 -10.325 3.608 0.361 1.00 0.00 C ATOM 715 C GLN A 45 -9.879 2.205 -0.037 1.00 0.00 C ATOM 716 O GLN A 45 -10.681 1.272 -0.060 1.00 0.00 O ATOM 717 CB GLN A 45 -11.563 4.010 -0.442 1.00 0.00 C ATOM 718 CG GLN A 45 -12.329 5.176 0.163 1.00 0.00 C ATOM 719 CD GLN A 45 -13.810 5.130 -0.157 1.00 0.00 C ATOM 720 OE1 GLN A 45 -14.649 5.056 0.742 1.00 0.00 O ATOM 721 NE2 GLN A 45 -14.140 5.173 -1.442 1.00 0.00 N ATOM 0 H GLN A 45 -9.113 4.848 -0.818 1.00 0.00 H new ATOM 0 HA GLN A 45 -10.575 3.602 1.422 1.00 0.00 H new ATOM 0 HB2 GLN A 45 -11.259 4.273 -1.455 1.00 0.00 H new ATOM 0 HB3 GLN A 45 -12.229 3.151 -0.522 1.00 0.00 H new ATOM 0 HG2 GLN A 45 -12.195 5.172 1.245 1.00 0.00 H new ATOM 0 HG3 GLN A 45 -11.910 6.112 -0.207 1.00 0.00 H new ATOM 0 HE21 GLN A 45 -13.412 5.234 -2.154 1.00 0.00 H new ATOM 0 HE22 GLN A 45 -15.122 5.145 -1.718 1.00 0.00 H new ATOM 730 N ASP A 46 -8.596 2.065 -0.350 1.00 0.00 N ATOM 731 CA ASP A 46 -8.042 0.775 -0.747 1.00 0.00 C ATOM 732 C ASP A 46 -7.303 0.120 0.416 1.00 0.00 C ATOM 733 O ASP A 46 -6.910 -1.044 0.338 1.00 0.00 O ATOM 734 CB ASP A 46 -7.097 0.946 -1.937 1.00 0.00 C ATOM 735 CG ASP A 46 -6.024 -0.125 -1.983 1.00 0.00 C ATOM 736 OD1 ASP A 46 -6.381 -1.319 -2.059 1.00 0.00 O ATOM 737 OD2 ASP A 46 -4.828 0.232 -1.944 1.00 0.00 O ATOM 0 H ASP A 46 -7.920 2.828 -0.337 1.00 0.00 H new ATOM 0 HA ASP A 46 -8.868 0.127 -1.040 1.00 0.00 H new ATOM 0 HB2 ASP A 46 -7.673 0.919 -2.862 1.00 0.00 H new ATOM 0 HB3 ASP A 46 -6.625 1.927 -1.884 1.00 0.00 H new ATOM 742 N VAL A 47 -7.117 0.875 1.493 1.00 0.00 N ATOM 743 CA VAL A 47 -6.426 0.368 2.673 1.00 0.00 C ATOM 744 C VAL A 47 -7.226 0.645 3.940 1.00 0.00 C ATOM 745 O VAL A 47 -6.659 0.894 5.005 1.00 0.00 O ATOM 746 CB VAL A 47 -5.026 0.995 2.815 1.00 0.00 C ATOM 747 CG1 VAL A 47 -4.180 0.699 1.587 1.00 0.00 C ATOM 748 CG2 VAL A 47 -5.136 2.495 3.048 1.00 0.00 C ATOM 0 H VAL A 47 -7.435 1.841 1.573 1.00 0.00 H new ATOM 0 HA VAL A 47 -6.322 -0.709 2.541 1.00 0.00 H new ATOM 0 HB VAL A 47 -4.534 0.550 3.680 1.00 0.00 H new ATOM 0 HG11 VAL A 47 -3.195 1.150 1.706 1.00 0.00 H new ATOM 0 HG12 VAL A 47 -4.073 -0.379 1.470 1.00 0.00 H new ATOM 0 HG13 VAL A 47 -4.664 1.114 0.703 1.00 0.00 H new ATOM 0 HG21 VAL A 47 -4.138 2.922 3.146 1.00 0.00 H new ATOM 0 HG22 VAL A 47 -5.647 2.958 2.204 1.00 0.00 H new ATOM 0 HG23 VAL A 47 -5.702 2.681 3.961 1.00 0.00 H new ATOM 758 N THR A 48 -8.550 0.598 3.820 1.00 0.00 N ATOM 759 CA THR A 48 -9.429 0.844 4.956 1.00 0.00 C ATOM 760 C THR A 48 -9.780 -0.456 5.671 1.00 0.00 C ATOM 761 O THR A 48 -10.101 -0.455 6.860 1.00 0.00 O ATOM 762 CB THR A 48 -10.730 1.542 4.518 1.00 0.00 C ATOM 763 OG1 THR A 48 -11.306 0.852 3.403 1.00 0.00 O ATOM 764 CG2 THR A 48 -10.466 2.992 4.141 1.00 0.00 C ATOM 0 H THR A 48 -9.036 0.392 2.947 1.00 0.00 H new ATOM 0 HA THR A 48 -8.887 1.497 5.640 1.00 0.00 H new ATOM 0 HB THR A 48 -11.426 1.522 5.356 1.00 0.00 H new ATOM 0 HG1 THR A 48 -12.134 1.302 3.132 1.00 0.00 H new ATOM 0 HG21 THR A 48 -11.400 3.464 3.835 1.00 0.00 H new ATOM 0 HG22 THR A 48 -10.056 3.522 5.000 1.00 0.00 H new ATOM 0 HG23 THR A 48 -9.753 3.030 3.317 1.00 0.00 H new ATOM 772 N ASP A 49 -9.715 -1.564 4.941 1.00 0.00 N ATOM 773 CA ASP A 49 -10.024 -2.872 5.507 1.00 0.00 C ATOM 774 C ASP A 49 -8.759 -3.710 5.661 1.00 0.00 C ATOM 775 O ASP A 49 -8.756 -4.727 6.353 1.00 0.00 O ATOM 776 CB ASP A 49 -11.034 -3.607 4.624 1.00 0.00 C ATOM 777 CG ASP A 49 -10.791 -3.371 3.146 1.00 0.00 C ATOM 778 OD1 ASP A 49 -10.004 -4.132 2.546 1.00 0.00 O ATOM 779 OD2 ASP A 49 -11.387 -2.425 2.590 1.00 0.00 O ATOM 0 H ASP A 49 -9.451 -1.583 3.956 1.00 0.00 H new ATOM 0 HA ASP A 49 -10.459 -2.720 6.495 1.00 0.00 H new ATOM 0 HB2 ASP A 49 -10.983 -4.676 4.831 1.00 0.00 H new ATOM 0 HB3 ASP A 49 -12.042 -3.280 4.880 1.00 0.00 H new ATOM 784 N GLY A 50 -7.684 -3.276 5.009 1.00 0.00 N ATOM 785 CA GLY A 50 -6.428 -3.998 5.086 1.00 0.00 C ATOM 786 C GLY A 50 -6.393 -5.199 4.162 1.00 0.00 C ATOM 787 O GLY A 50 -5.324 -5.733 3.866 1.00 0.00 O ATOM 0 H GLY A 50 -7.661 -2.437 4.429 1.00 0.00 H new ATOM 0 HA2 GLY A 50 -5.609 -3.325 4.833 1.00 0.00 H new ATOM 0 HA3 GLY A 50 -6.264 -4.328 6.112 1.00 0.00 H new ATOM 791 N VAL A 51 -7.565 -5.627 3.705 1.00 0.00 N ATOM 792 CA VAL A 51 -7.665 -6.773 2.809 1.00 0.00 C ATOM 793 C VAL A 51 -6.928 -6.513 1.500 1.00 0.00 C ATOM 794 O VAL A 51 -5.927 -7.165 1.198 1.00 0.00 O ATOM 795 CB VAL A 51 -9.134 -7.118 2.499 1.00 0.00 C ATOM 796 CG1 VAL A 51 -9.215 -8.283 1.524 1.00 0.00 C ATOM 797 CG2 VAL A 51 -9.889 -7.432 3.782 1.00 0.00 C ATOM 0 H VAL A 51 -8.459 -5.197 3.941 1.00 0.00 H new ATOM 0 HA VAL A 51 -7.203 -7.616 3.322 1.00 0.00 H new ATOM 0 HB VAL A 51 -9.602 -6.252 2.032 1.00 0.00 H new ATOM 0 HG11 VAL A 51 -10.260 -8.512 1.317 1.00 0.00 H new ATOM 0 HG12 VAL A 51 -8.711 -8.016 0.595 1.00 0.00 H new ATOM 0 HG13 VAL A 51 -8.731 -9.157 1.960 1.00 0.00 H new ATOM 0 HG21 VAL A 51 -10.925 -7.674 3.545 1.00 0.00 H new ATOM 0 HG22 VAL A 51 -9.423 -8.282 4.280 1.00 0.00 H new ATOM 0 HG23 VAL A 51 -9.861 -6.565 4.442 1.00 0.00 H new ATOM 807 N LEU A 52 -7.429 -5.557 0.726 1.00 0.00 N ATOM 808 CA LEU A 52 -6.818 -5.210 -0.553 1.00 0.00 C ATOM 809 C LEU A 52 -5.373 -4.762 -0.362 1.00 0.00 C ATOM 810 O LEU A 52 -4.542 -4.908 -1.260 1.00 0.00 O ATOM 811 CB LEU A 52 -7.620 -4.103 -1.239 1.00 0.00 C ATOM 812 CG LEU A 52 -7.602 -4.110 -2.768 1.00 0.00 C ATOM 813 CD1 LEU A 52 -8.508 -3.020 -3.318 1.00 0.00 C ATOM 814 CD2 LEU A 52 -6.182 -3.938 -3.286 1.00 0.00 C ATOM 0 H LEU A 52 -8.256 -5.008 0.961 1.00 0.00 H new ATOM 0 HA LEU A 52 -6.823 -6.099 -1.184 1.00 0.00 H new ATOM 0 HB2 LEU A 52 -8.656 -4.174 -0.907 1.00 0.00 H new ATOM 0 HB3 LEU A 52 -7.240 -3.141 -0.896 1.00 0.00 H new ATOM 0 HG LEU A 52 -7.978 -5.074 -3.112 1.00 0.00 H new ATOM 0 HD11 LEU A 52 -8.482 -3.041 -4.407 1.00 0.00 H new ATOM 0 HD12 LEU A 52 -9.529 -3.189 -2.976 1.00 0.00 H new ATOM 0 HD13 LEU A 52 -8.163 -2.048 -2.965 1.00 0.00 H new ATOM 0 HD21 LEU A 52 -6.189 -3.945 -4.376 1.00 0.00 H new ATOM 0 HD22 LEU A 52 -5.778 -2.989 -2.932 1.00 0.00 H new ATOM 0 HD23 LEU A 52 -5.560 -4.756 -2.922 1.00 0.00 H new ATOM 826 N LEU A 53 -5.078 -4.218 0.814 1.00 0.00 N ATOM 827 CA LEU A 53 -3.731 -3.751 1.125 1.00 0.00 C ATOM 828 C LEU A 53 -2.749 -4.917 1.178 1.00 0.00 C ATOM 829 O LEU A 53 -1.720 -4.906 0.505 1.00 0.00 O ATOM 830 CB LEU A 53 -3.725 -3.003 2.458 1.00 0.00 C ATOM 831 CG LEU A 53 -2.404 -3.016 3.230 1.00 0.00 C ATOM 832 CD1 LEU A 53 -1.263 -2.544 2.342 1.00 0.00 C ATOM 833 CD2 LEU A 53 -2.506 -2.150 4.477 1.00 0.00 C ATOM 0 H LEU A 53 -5.753 -4.089 1.568 1.00 0.00 H new ATOM 0 HA LEU A 53 -3.417 -3.071 0.333 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -4.003 -1.966 2.271 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -4.499 -3.431 3.095 1.00 0.00 H new ATOM 0 HG LEU A 53 -2.196 -4.040 3.540 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -0.331 -2.560 2.908 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -1.175 -3.205 1.480 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -1.463 -1.528 2.001 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -1.557 -2.171 5.013 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -2.737 -1.124 4.190 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -3.296 -2.533 5.122 1.00 0.00 H new ATOM 845 N ALA A 54 -3.076 -5.923 1.983 1.00 0.00 N ATOM 846 CA ALA A 54 -2.226 -7.099 2.121 1.00 0.00 C ATOM 847 C ALA A 54 -2.073 -7.825 0.789 1.00 0.00 C ATOM 848 O ALA A 54 -1.003 -8.347 0.477 1.00 0.00 O ATOM 849 CB ALA A 54 -2.792 -8.039 3.176 1.00 0.00 C ATOM 0 H ALA A 54 -3.924 -5.947 2.550 1.00 0.00 H new ATOM 0 HA ALA A 54 -1.238 -6.767 2.439 1.00 0.00 H new ATOM 0 HB1 ALA A 54 -2.147 -8.913 3.268 1.00 0.00 H new ATOM 0 HB2 ALA A 54 -2.842 -7.522 4.134 1.00 0.00 H new ATOM 0 HB3 ALA A 54 -3.793 -8.356 2.882 1.00 0.00 H new ATOM 855 N GLN A 55 -3.149 -7.856 0.010 1.00 0.00 N ATOM 856 CA GLN A 55 -3.133 -8.520 -1.288 1.00 0.00 C ATOM 857 C GLN A 55 -1.914 -8.098 -2.101 1.00 0.00 C ATOM 858 O GLN A 55 -1.481 -8.812 -3.006 1.00 0.00 O ATOM 859 CB GLN A 55 -4.413 -8.202 -2.063 1.00 0.00 C ATOM 860 CG GLN A 55 -5.626 -8.980 -1.580 1.00 0.00 C ATOM 861 CD GLN A 55 -6.641 -9.222 -2.680 1.00 0.00 C ATOM 862 OE1 GLN A 55 -6.714 -10.314 -3.243 1.00 0.00 O ATOM 863 NE2 GLN A 55 -7.430 -8.201 -2.992 1.00 0.00 N ATOM 0 H GLN A 55 -4.043 -7.429 0.255 1.00 0.00 H new ATOM 0 HA GLN A 55 -3.078 -9.595 -1.117 1.00 0.00 H new ATOM 0 HB2 GLN A 55 -4.621 -7.135 -1.983 1.00 0.00 H new ATOM 0 HB3 GLN A 55 -4.251 -8.417 -3.119 1.00 0.00 H new ATOM 0 HG2 GLN A 55 -5.300 -9.938 -1.174 1.00 0.00 H new ATOM 0 HG3 GLN A 55 -6.102 -8.434 -0.765 1.00 0.00 H new ATOM 0 HE21 GLN A 55 -7.334 -7.313 -2.499 1.00 0.00 H new ATOM 0 HE22 GLN A 55 -8.132 -8.304 -3.725 1.00 0.00 H new ATOM 872 N ILE A 56 -1.365 -6.933 -1.773 1.00 0.00 N ATOM 873 CA ILE A 56 -0.195 -6.416 -2.473 1.00 0.00 C ATOM 874 C ILE A 56 1.090 -6.770 -1.731 1.00 0.00 C ATOM 875 O ILE A 56 2.045 -7.269 -2.327 1.00 0.00 O ATOM 876 CB ILE A 56 -0.271 -4.888 -2.645 1.00 0.00 C ATOM 877 CG1 ILE A 56 -1.595 -4.492 -3.302 1.00 0.00 C ATOM 878 CG2 ILE A 56 0.906 -4.388 -3.468 1.00 0.00 C ATOM 879 CD1 ILE A 56 -2.092 -3.126 -2.885 1.00 0.00 C ATOM 0 H ILE A 56 -1.711 -6.329 -1.027 1.00 0.00 H new ATOM 0 HA ILE A 56 -0.184 -6.884 -3.458 1.00 0.00 H new ATOM 0 HB ILE A 56 -0.223 -4.424 -1.660 1.00 0.00 H new ATOM 0 HG12 ILE A 56 -1.474 -4.510 -4.385 1.00 0.00 H new ATOM 0 HG13 ILE A 56 -2.351 -5.236 -3.053 1.00 0.00 H new ATOM 0 HG21 ILE A 56 0.838 -3.306 -3.581 1.00 0.00 H new ATOM 0 HG22 ILE A 56 1.838 -4.642 -2.962 1.00 0.00 H new ATOM 0 HG23 ILE A 56 0.887 -4.857 -4.452 1.00 0.00 H new ATOM 0 HD11 ILE A 56 -3.034 -2.912 -3.390 1.00 0.00 H new ATOM 0 HD12 ILE A 56 -2.246 -3.109 -1.806 1.00 0.00 H new ATOM 0 HD13 ILE A 56 -1.354 -2.371 -3.158 1.00 0.00 H new ATOM 891 N ILE A 57 1.105 -6.510 -0.428 1.00 0.00 N ATOM 892 CA ILE A 57 2.271 -6.803 0.395 1.00 0.00 C ATOM 893 C ILE A 57 2.716 -8.252 0.223 1.00 0.00 C ATOM 894 O ILE A 57 3.871 -8.521 -0.102 1.00 0.00 O ATOM 895 CB ILE A 57 1.989 -6.539 1.886 1.00 0.00 C ATOM 896 CG1 ILE A 57 1.461 -5.116 2.083 1.00 0.00 C ATOM 897 CG2 ILE A 57 3.247 -6.762 2.711 1.00 0.00 C ATOM 898 CD1 ILE A 57 1.148 -4.782 3.525 1.00 0.00 C ATOM 0 H ILE A 57 0.323 -6.097 0.080 1.00 0.00 H new ATOM 0 HA ILE A 57 3.067 -6.138 0.061 1.00 0.00 H new ATOM 0 HB ILE A 57 1.227 -7.240 2.226 1.00 0.00 H new ATOM 0 HG12 ILE A 57 2.199 -4.408 1.706 1.00 0.00 H new ATOM 0 HG13 ILE A 57 0.560 -4.985 1.484 1.00 0.00 H new ATOM 0 HG21 ILE A 57 3.031 -6.571 3.762 1.00 0.00 H new ATOM 0 HG22 ILE A 57 3.583 -7.792 2.590 1.00 0.00 H new ATOM 0 HG23 ILE A 57 4.029 -6.083 2.372 1.00 0.00 H new ATOM 0 HD11 ILE A 57 0.779 -3.758 3.590 1.00 0.00 H new ATOM 0 HD12 ILE A 57 0.387 -5.467 3.900 1.00 0.00 H new ATOM 0 HD13 ILE A 57 2.052 -4.880 4.126 1.00 0.00 H new ATOM 910 N GLN A 58 1.789 -9.179 0.441 1.00 0.00 N ATOM 911 CA GLN A 58 2.085 -10.601 0.308 1.00 0.00 C ATOM 912 C GLN A 58 2.692 -10.905 -1.058 1.00 0.00 C ATOM 913 O GLN A 58 3.361 -11.923 -1.239 1.00 0.00 O ATOM 914 CB GLN A 58 0.816 -11.429 0.511 1.00 0.00 C ATOM 915 CG GLN A 58 0.222 -11.300 1.904 1.00 0.00 C ATOM 916 CD GLN A 58 -1.126 -11.983 2.030 1.00 0.00 C ATOM 917 OE1 GLN A 58 -2.108 -11.372 2.452 1.00 0.00 O ATOM 918 NE2 GLN A 58 -1.180 -13.258 1.662 1.00 0.00 N ATOM 0 H GLN A 58 0.827 -8.971 0.710 1.00 0.00 H new ATOM 0 HA GLN A 58 2.811 -10.869 1.076 1.00 0.00 H new ATOM 0 HB2 GLN A 58 0.071 -11.122 -0.223 1.00 0.00 H new ATOM 0 HB3 GLN A 58 1.041 -12.478 0.317 1.00 0.00 H new ATOM 0 HG2 GLN A 58 0.912 -11.730 2.630 1.00 0.00 H new ATOM 0 HG3 GLN A 58 0.115 -10.244 2.153 1.00 0.00 H new ATOM 0 HE21 GLN A 58 -0.341 -13.725 1.318 1.00 0.00 H new ATOM 0 HE22 GLN A 58 -2.060 -13.770 1.724 1.00 0.00 H new ATOM 927 N VAL A 59 2.455 -10.016 -2.017 1.00 0.00 N ATOM 928 CA VAL A 59 2.978 -10.189 -3.367 1.00 0.00 C ATOM 929 C VAL A 59 4.391 -9.627 -3.484 1.00 0.00 C ATOM 930 O VAL A 59 5.354 -10.372 -3.666 1.00 0.00 O ATOM 931 CB VAL A 59 2.077 -9.503 -4.411 1.00 0.00 C ATOM 932 CG1 VAL A 59 2.653 -9.673 -5.808 1.00 0.00 C ATOM 933 CG2 VAL A 59 0.662 -10.058 -4.338 1.00 0.00 C ATOM 0 H VAL A 59 1.904 -9.168 -1.884 1.00 0.00 H new ATOM 0 HA VAL A 59 2.998 -11.261 -3.564 1.00 0.00 H new ATOM 0 HB VAL A 59 2.038 -8.437 -4.188 1.00 0.00 H new ATOM 0 HG11 VAL A 59 2.003 -9.182 -6.532 1.00 0.00 H new ATOM 0 HG12 VAL A 59 3.646 -9.225 -5.849 1.00 0.00 H new ATOM 0 HG13 VAL A 59 2.724 -10.734 -6.046 1.00 0.00 H new ATOM 0 HG21 VAL A 59 0.038 -9.563 -5.082 1.00 0.00 H new ATOM 0 HG22 VAL A 59 0.681 -11.130 -4.536 1.00 0.00 H new ATOM 0 HG23 VAL A 59 0.252 -9.880 -3.344 1.00 0.00 H new ATOM 943 N VAL A 60 4.508 -8.307 -3.378 1.00 0.00 N ATOM 944 CA VAL A 60 5.803 -7.644 -3.471 1.00 0.00 C ATOM 945 C VAL A 60 6.804 -8.256 -2.497 1.00 0.00 C ATOM 946 O VAL A 60 7.994 -8.356 -2.795 1.00 0.00 O ATOM 947 CB VAL A 60 5.683 -6.135 -3.186 1.00 0.00 C ATOM 948 CG1 VAL A 60 5.248 -5.896 -1.749 1.00 0.00 C ATOM 949 CG2 VAL A 60 7.000 -5.432 -3.478 1.00 0.00 C ATOM 0 H VAL A 60 3.721 -7.676 -3.228 1.00 0.00 H new ATOM 0 HA VAL A 60 6.159 -7.786 -4.491 1.00 0.00 H new ATOM 0 HB VAL A 60 4.921 -5.718 -3.844 1.00 0.00 H new ATOM 0 HG11 VAL A 60 5.169 -4.824 -1.566 1.00 0.00 H new ATOM 0 HG12 VAL A 60 4.279 -6.366 -1.579 1.00 0.00 H new ATOM 0 HG13 VAL A 60 5.984 -6.326 -1.070 1.00 0.00 H new ATOM 0 HG21 VAL A 60 6.897 -4.367 -3.271 1.00 0.00 H new ATOM 0 HG22 VAL A 60 7.784 -5.850 -2.846 1.00 0.00 H new ATOM 0 HG23 VAL A 60 7.264 -5.574 -4.526 1.00 0.00 H new ATOM 959 N ALA A 61 6.314 -8.665 -1.331 1.00 0.00 N ATOM 960 CA ALA A 61 7.165 -9.269 -0.314 1.00 0.00 C ATOM 961 C ALA A 61 7.319 -10.768 -0.548 1.00 0.00 C ATOM 962 O ALA A 61 8.299 -11.375 -0.117 1.00 0.00 O ATOM 963 CB ALA A 61 6.598 -9.005 1.073 1.00 0.00 C ATOM 0 H ALA A 61 5.332 -8.589 -1.068 1.00 0.00 H new ATOM 0 HA ALA A 61 8.153 -8.813 -0.384 1.00 0.00 H new ATOM 0 HB1 ALA A 61 7.244 -9.462 1.823 1.00 0.00 H new ATOM 0 HB2 ALA A 61 6.545 -7.930 1.246 1.00 0.00 H new ATOM 0 HB3 ALA A 61 5.598 -9.434 1.145 1.00 0.00 H new ATOM 969 N ASN A 62 6.345 -11.359 -1.232 1.00 0.00 N ATOM 970 CA ASN A 62 6.373 -12.788 -1.521 1.00 0.00 C ATOM 971 C ASN A 62 6.199 -13.605 -0.245 1.00 0.00 C ATOM 972 O ASN A 62 6.837 -14.643 -0.069 1.00 0.00 O ATOM 973 CB ASN A 62 7.688 -13.166 -2.207 1.00 0.00 C ATOM 974 CG ASN A 62 8.107 -12.150 -3.252 1.00 0.00 C ATOM 975 OD1 ASN A 62 7.485 -12.036 -4.308 1.00 0.00 O ATOM 976 ND2 ASN A 62 9.168 -11.406 -2.961 1.00 0.00 N ATOM 0 H ASN A 62 5.527 -10.871 -1.596 1.00 0.00 H new ATOM 0 HA ASN A 62 5.544 -13.013 -2.191 1.00 0.00 H new ATOM 0 HB2 ASN A 62 8.473 -13.256 -1.457 1.00 0.00 H new ATOM 0 HB3 ASN A 62 7.582 -14.144 -2.677 1.00 0.00 H new ATOM 0 HD21 ASN A 62 9.498 -10.706 -3.625 1.00 0.00 H new ATOM 0 HD22 ASN A 62 9.653 -11.535 -2.073 1.00 0.00 H new ATOM 983 N GLU A 63 5.330 -13.130 0.642 1.00 0.00 N ATOM 984 CA GLU A 63 5.073 -13.817 1.902 1.00 0.00 C ATOM 985 C GLU A 63 3.586 -13.790 2.243 1.00 0.00 C ATOM 986 O GLU A 63 2.833 -12.964 1.726 1.00 0.00 O ATOM 987 CB GLU A 63 5.878 -13.173 3.033 1.00 0.00 C ATOM 988 CG GLU A 63 6.268 -14.146 4.133 1.00 0.00 C ATOM 989 CD GLU A 63 7.451 -15.014 3.752 1.00 0.00 C ATOM 990 OE1 GLU A 63 8.600 -14.594 4.003 1.00 0.00 O ATOM 991 OE2 GLU A 63 7.229 -16.114 3.202 1.00 0.00 O ATOM 0 H GLU A 63 4.793 -12.273 0.511 1.00 0.00 H new ATOM 0 HA GLU A 63 5.384 -14.856 1.790 1.00 0.00 H new ATOM 0 HB2 GLU A 63 6.781 -12.727 2.617 1.00 0.00 H new ATOM 0 HB3 GLU A 63 5.294 -12.362 3.467 1.00 0.00 H new ATOM 0 HG2 GLU A 63 6.508 -13.588 5.038 1.00 0.00 H new ATOM 0 HG3 GLU A 63 5.416 -14.783 4.368 1.00 0.00 H new ATOM 998 N LYS A 64 3.168 -14.699 3.117 1.00 0.00 N ATOM 999 CA LYS A 64 1.772 -14.781 3.529 1.00 0.00 C ATOM 1000 C LYS A 64 1.595 -14.270 4.955 1.00 0.00 C ATOM 1001 O LYS A 64 2.415 -14.548 5.830 1.00 0.00 O ATOM 1002 CB LYS A 64 1.273 -16.224 3.427 1.00 0.00 C ATOM 1003 CG LYS A 64 1.472 -17.028 4.700 1.00 0.00 C ATOM 1004 CD LYS A 64 1.582 -18.516 4.409 1.00 0.00 C ATOM 1005 CE LYS A 64 0.221 -19.127 4.113 1.00 0.00 C ATOM 1006 NZ LYS A 64 -0.142 -19.004 2.674 1.00 0.00 N ATOM 0 H LYS A 64 3.777 -15.390 3.554 1.00 0.00 H new ATOM 0 HA LYS A 64 1.184 -14.152 2.861 1.00 0.00 H new ATOM 0 HB2 LYS A 64 0.213 -16.216 3.174 1.00 0.00 H new ATOM 0 HB3 LYS A 64 1.792 -16.722 2.608 1.00 0.00 H new ATOM 0 HG2 LYS A 64 2.374 -16.688 5.209 1.00 0.00 H new ATOM 0 HG3 LYS A 64 0.637 -16.850 5.378 1.00 0.00 H new ATOM 0 HD2 LYS A 64 2.246 -18.674 3.559 1.00 0.00 H new ATOM 0 HD3 LYS A 64 2.032 -19.023 5.263 1.00 0.00 H new ATOM 0 HE2 LYS A 64 0.226 -20.179 4.397 1.00 0.00 H new ATOM 0 HE3 LYS A 64 -0.538 -18.636 4.722 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 -0.776 -19.784 2.408 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 -0.624 -18.096 2.514 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 0.720 -19.045 2.094 1.00 0.00 H new ATOM 1020 N ILE A 65 0.518 -13.525 5.182 1.00 0.00 N ATOM 1021 CA ILE A 65 0.233 -12.978 6.502 1.00 0.00 C ATOM 1022 C ILE A 65 -0.949 -13.692 7.149 1.00 0.00 C ATOM 1023 O ILE A 65 -2.104 -13.431 6.813 1.00 0.00 O ATOM 1024 CB ILE A 65 -0.068 -11.469 6.434 1.00 0.00 C ATOM 1025 CG1 ILE A 65 0.969 -10.759 5.561 1.00 0.00 C ATOM 1026 CG2 ILE A 65 -0.090 -10.870 7.832 1.00 0.00 C ATOM 1027 CD1 ILE A 65 0.593 -9.336 5.212 1.00 0.00 C ATOM 0 H ILE A 65 -0.171 -13.287 4.469 1.00 0.00 H new ATOM 0 HA ILE A 65 1.126 -13.135 7.108 1.00 0.00 H new ATOM 0 HB ILE A 65 -1.051 -11.329 5.984 1.00 0.00 H new ATOM 0 HG12 ILE A 65 1.928 -10.756 6.080 1.00 0.00 H new ATOM 0 HG13 ILE A 65 1.106 -11.326 4.640 1.00 0.00 H new ATOM 0 HG21 ILE A 65 -0.304 -9.803 7.767 1.00 0.00 H new ATOM 0 HG22 ILE A 65 -0.862 -11.360 8.426 1.00 0.00 H new ATOM 0 HG23 ILE A 65 0.880 -11.017 8.306 1.00 0.00 H new ATOM 0 HD11 ILE A 65 1.374 -8.895 4.592 1.00 0.00 H new ATOM 0 HD12 ILE A 65 -0.350 -9.332 4.665 1.00 0.00 H new ATOM 0 HD13 ILE A 65 0.484 -8.754 6.127 1.00 0.00 H new ATOM 1039 N GLU A 66 -0.652 -14.593 8.081 1.00 0.00 N ATOM 1040 CA GLU A 66 -1.691 -15.343 8.775 1.00 0.00 C ATOM 1041 C GLU A 66 -2.405 -14.465 9.799 1.00 0.00 C ATOM 1042 O GLU A 66 -3.474 -14.818 10.298 1.00 0.00 O ATOM 1043 CB GLU A 66 -1.090 -16.568 9.469 1.00 0.00 C ATOM 1044 CG GLU A 66 -0.179 -17.389 8.572 1.00 0.00 C ATOM 1045 CD GLU A 66 0.110 -18.766 9.138 1.00 0.00 C ATOM 1046 OE1 GLU A 66 0.268 -18.878 10.372 1.00 0.00 O ATOM 1047 OE2 GLU A 66 0.178 -19.730 8.348 1.00 0.00 O ATOM 0 H GLU A 66 0.299 -14.820 8.372 1.00 0.00 H new ATOM 0 HA GLU A 66 -2.419 -15.674 8.035 1.00 0.00 H new ATOM 0 HB2 GLU A 66 -0.527 -16.240 10.343 1.00 0.00 H new ATOM 0 HB3 GLU A 66 -1.898 -17.203 9.831 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -0.640 -17.493 7.590 1.00 0.00 H new ATOM 0 HG3 GLU A 66 0.760 -16.855 8.428 1.00 0.00 H new ATOM 1054 N ASP A 67 -1.806 -13.320 10.106 1.00 0.00 N ATOM 1055 CA ASP A 67 -2.384 -12.390 11.070 1.00 0.00 C ATOM 1056 C ASP A 67 -3.353 -11.430 10.385 1.00 0.00 C ATOM 1057 O ASP A 67 -3.503 -10.282 10.803 1.00 0.00 O ATOM 1058 CB ASP A 67 -1.279 -11.601 11.775 1.00 0.00 C ATOM 1059 CG ASP A 67 -0.603 -12.405 12.869 1.00 0.00 C ATOM 1060 OD1 ASP A 67 -1.255 -13.311 13.430 1.00 0.00 O ATOM 1061 OD2 ASP A 67 0.578 -12.128 13.163 1.00 0.00 O ATOM 0 H ASP A 67 -0.921 -13.013 9.702 1.00 0.00 H new ATOM 0 HA ASP A 67 -2.936 -12.969 11.810 1.00 0.00 H new ATOM 0 HB2 ASP A 67 -0.534 -11.291 11.043 1.00 0.00 H new ATOM 0 HB3 ASP A 67 -1.702 -10.693 12.204 1.00 0.00 H new ATOM 1066 N ILE A 68 -4.005 -11.908 9.331 1.00 0.00 N ATOM 1067 CA ILE A 68 -4.959 -11.093 8.589 1.00 0.00 C ATOM 1068 C ILE A 68 -6.382 -11.608 8.772 1.00 0.00 C ATOM 1069 O ILE A 68 -6.695 -12.741 8.408 1.00 0.00 O ATOM 1070 CB ILE A 68 -4.625 -11.064 7.086 1.00 0.00 C ATOM 1071 CG1 ILE A 68 -3.207 -10.531 6.867 1.00 0.00 C ATOM 1072 CG2 ILE A 68 -5.638 -10.213 6.335 1.00 0.00 C ATOM 1073 CD1 ILE A 68 -3.040 -9.079 7.254 1.00 0.00 C ATOM 0 H ILE A 68 -3.890 -12.856 8.971 1.00 0.00 H new ATOM 0 HA ILE A 68 -4.887 -10.081 8.989 1.00 0.00 H new ATOM 0 HB ILE A 68 -4.675 -12.081 6.698 1.00 0.00 H new ATOM 0 HG12 ILE A 68 -2.507 -11.135 7.445 1.00 0.00 H new ATOM 0 HG13 ILE A 68 -2.941 -10.652 5.817 1.00 0.00 H new ATOM 0 HG21 ILE A 68 -5.389 -10.202 5.274 1.00 0.00 H new ATOM 0 HG22 ILE A 68 -6.635 -10.632 6.469 1.00 0.00 H new ATOM 0 HG23 ILE A 68 -5.617 -9.195 6.723 1.00 0.00 H new ATOM 0 HD11 ILE A 68 -2.011 -8.770 7.072 1.00 0.00 H new ATOM 0 HD12 ILE A 68 -3.714 -8.464 6.658 1.00 0.00 H new ATOM 0 HD13 ILE A 68 -3.274 -8.955 8.311 1.00 0.00 H new ATOM 1085 N ASN A 69 -7.242 -10.768 9.338 1.00 0.00 N ATOM 1086 CA ASN A 69 -8.634 -11.138 9.568 1.00 0.00 C ATOM 1087 C ASN A 69 -9.224 -11.825 8.341 1.00 0.00 C ATOM 1088 O ASN A 69 -9.762 -12.928 8.433 1.00 0.00 O ATOM 1089 CB ASN A 69 -9.461 -9.900 9.920 1.00 0.00 C ATOM 1090 CG ASN A 69 -10.871 -10.251 10.355 1.00 0.00 C ATOM 1091 OD1 ASN A 69 -11.073 -11.132 11.191 1.00 0.00 O ATOM 1092 ND2 ASN A 69 -11.854 -9.561 9.788 1.00 0.00 N ATOM 0 H ASN A 69 -7.000 -9.826 9.646 1.00 0.00 H new ATOM 0 HA ASN A 69 -8.665 -11.837 10.404 1.00 0.00 H new ATOM 0 HB2 ASN A 69 -8.964 -9.349 10.719 1.00 0.00 H new ATOM 0 HB3 ASN A 69 -9.505 -9.238 9.055 1.00 0.00 H new ATOM 0 HD21 ASN A 69 -12.823 -9.753 10.041 1.00 0.00 H new ATOM 0 HD22 ASN A 69 -11.640 -8.840 9.100 1.00 0.00 H new ATOM 1099 N GLY A 70 -9.118 -11.166 7.191 1.00 0.00 N ATOM 1100 CA GLY A 70 -9.646 -11.728 5.962 1.00 0.00 C ATOM 1101 C GLY A 70 -11.040 -11.225 5.645 1.00 0.00 C ATOM 1102 O GLY A 70 -11.318 -10.815 4.518 1.00 0.00 O ATOM 0 H GLY A 70 -8.676 -10.253 7.089 1.00 0.00 H new ATOM 0 HA2 GLY A 70 -8.978 -11.481 5.137 1.00 0.00 H new ATOM 0 HA3 GLY A 70 -9.665 -12.815 6.042 1.00 0.00 H new ATOM 1106 N CYS A 71 -11.919 -11.258 6.640 1.00 0.00 N ATOM 1107 CA CYS A 71 -13.294 -10.804 6.461 1.00 0.00 C ATOM 1108 C CYS A 71 -13.688 -9.819 7.557 1.00 0.00 C ATOM 1109 O CYS A 71 -14.340 -10.172 8.539 1.00 0.00 O ATOM 1110 CB CYS A 71 -14.251 -11.997 6.464 1.00 0.00 C ATOM 1111 SG CYS A 71 -14.088 -13.077 5.023 1.00 0.00 S ATOM 0 H CYS A 71 -11.705 -11.594 7.579 1.00 0.00 H new ATOM 0 HA CYS A 71 -13.361 -10.296 5.499 1.00 0.00 H new ATOM 0 HB2 CYS A 71 -14.080 -12.584 7.366 1.00 0.00 H new ATOM 0 HB3 CYS A 71 -15.275 -11.627 6.514 1.00 0.00 H new ATOM 0 HG CYS A 71 -14.937 -14.057 5.117 1.00 0.00 H new ATOM 1117 N PRO A 72 -13.281 -8.552 7.386 1.00 0.00 N ATOM 1118 CA PRO A 72 -13.579 -7.488 8.351 1.00 0.00 C ATOM 1119 C PRO A 72 -15.058 -7.116 8.364 1.00 0.00 C ATOM 1120 O PRO A 72 -15.667 -6.909 7.314 1.00 0.00 O ATOM 1121 CB PRO A 72 -12.736 -6.312 7.853 1.00 0.00 C ATOM 1122 CG PRO A 72 -12.555 -6.565 6.396 1.00 0.00 C ATOM 1123 CD PRO A 72 -12.500 -8.059 6.239 1.00 0.00 C ATOM 0 HA PRO A 72 -13.353 -7.789 9.374 1.00 0.00 H new ATOM 0 HB2 PRO A 72 -13.239 -5.361 8.030 1.00 0.00 H new ATOM 0 HB3 PRO A 72 -11.777 -6.266 8.369 1.00 0.00 H new ATOM 0 HG2 PRO A 72 -13.379 -6.142 5.821 1.00 0.00 H new ATOM 0 HG3 PRO A 72 -11.640 -6.100 6.030 1.00 0.00 H new ATOM 0 HD2 PRO A 72 -12.932 -8.380 5.291 1.00 0.00 H new ATOM 0 HD3 PRO A 72 -11.475 -8.428 6.263 1.00 0.00 H new ATOM 1131 N LYS A 73 -15.631 -7.032 9.560 1.00 0.00 N ATOM 1132 CA LYS A 73 -17.039 -6.682 9.711 1.00 0.00 C ATOM 1133 C LYS A 73 -17.210 -5.528 10.694 1.00 0.00 C ATOM 1134 O LYS A 73 -17.888 -4.545 10.398 1.00 0.00 O ATOM 1135 CB LYS A 73 -17.838 -7.896 10.190 1.00 0.00 C ATOM 1136 CG LYS A 73 -18.227 -8.847 9.072 1.00 0.00 C ATOM 1137 CD LYS A 73 -19.527 -9.572 9.382 1.00 0.00 C ATOM 1138 CE LYS A 73 -19.644 -10.869 8.597 1.00 0.00 C ATOM 1139 NZ LYS A 73 -21.063 -11.282 8.416 1.00 0.00 N ATOM 0 H LYS A 73 -15.142 -7.201 10.439 1.00 0.00 H new ATOM 0 HA LYS A 73 -17.416 -6.367 8.738 1.00 0.00 H new ATOM 0 HB2 LYS A 73 -17.249 -8.439 10.929 1.00 0.00 H new ATOM 0 HB3 LYS A 73 -18.741 -7.551 10.693 1.00 0.00 H new ATOM 0 HG2 LYS A 73 -18.333 -8.291 8.141 1.00 0.00 H new ATOM 0 HG3 LYS A 73 -17.431 -9.576 8.919 1.00 0.00 H new ATOM 0 HD2 LYS A 73 -19.580 -9.786 10.450 1.00 0.00 H new ATOM 0 HD3 LYS A 73 -20.371 -8.925 9.145 1.00 0.00 H new ATOM 0 HE2 LYS A 73 -19.174 -10.746 7.621 1.00 0.00 H new ATOM 0 HE3 LYS A 73 -19.100 -11.658 9.116 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 -21.100 -12.170 7.876 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 -21.505 -11.424 9.347 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 -21.577 -10.541 7.898 1.00 0.00 H new ATOM 1153 N ASN A 74 -16.589 -5.654 11.862 1.00 0.00 N ATOM 1154 CA ASN A 74 -16.673 -4.620 12.888 1.00 0.00 C ATOM 1155 C ASN A 74 -15.687 -3.492 12.604 1.00 0.00 C ATOM 1156 O ASN A 74 -14.735 -3.663 11.842 1.00 0.00 O ATOM 1157 CB ASN A 74 -16.397 -5.219 14.268 1.00 0.00 C ATOM 1158 CG ASN A 74 -17.132 -4.485 15.374 1.00 0.00 C ATOM 1159 OD1 ASN A 74 -18.071 -3.732 15.117 1.00 0.00 O ATOM 1160 ND2 ASN A 74 -16.705 -4.702 16.613 1.00 0.00 N ATOM 0 H ASN A 74 -16.022 -6.461 12.122 1.00 0.00 H new ATOM 0 HA ASN A 74 -17.682 -4.209 12.873 1.00 0.00 H new ATOM 0 HB2 ASN A 74 -16.694 -6.268 14.272 1.00 0.00 H new ATOM 0 HB3 ASN A 74 -15.326 -5.190 14.466 1.00 0.00 H new ATOM 0 HD21 ASN A 74 -17.160 -4.236 17.398 1.00 0.00 H new ATOM 0 HD22 ASN A 74 -15.923 -5.335 16.779 1.00 0.00 H new ATOM 1167 N ARG A 75 -15.921 -2.339 13.222 1.00 0.00 N ATOM 1168 CA ARG A 75 -15.054 -1.182 13.036 1.00 0.00 C ATOM 1169 C ARG A 75 -13.637 -1.481 13.517 1.00 0.00 C ATOM 1170 O ARG A 75 -12.666 -0.920 13.009 1.00 0.00 O ATOM 1171 CB ARG A 75 -15.613 0.028 13.787 1.00 0.00 C ATOM 1172 CG ARG A 75 -15.799 -0.212 15.276 1.00 0.00 C ATOM 1173 CD ARG A 75 -14.546 0.147 16.059 1.00 0.00 C ATOM 1174 NE ARG A 75 -14.472 1.577 16.347 1.00 0.00 N ATOM 1175 CZ ARG A 75 -15.244 2.188 17.239 1.00 0.00 C ATOM 1176 NH1 ARG A 75 -16.144 1.497 17.926 1.00 0.00 N ATOM 1177 NH2 ARG A 75 -15.117 3.492 17.445 1.00 0.00 N ATOM 0 H ARG A 75 -16.704 -2.181 13.856 1.00 0.00 H new ATOM 0 HA ARG A 75 -15.018 -0.955 11.970 1.00 0.00 H new ATOM 0 HB2 ARG A 75 -14.942 0.875 13.645 1.00 0.00 H new ATOM 0 HB3 ARG A 75 -16.572 0.305 13.350 1.00 0.00 H new ATOM 0 HG2 ARG A 75 -16.639 0.381 15.639 1.00 0.00 H new ATOM 0 HG3 ARG A 75 -16.050 -1.259 15.448 1.00 0.00 H new ATOM 0 HD2 ARG A 75 -14.530 -0.413 16.994 1.00 0.00 H new ATOM 0 HD3 ARG A 75 -13.665 -0.155 15.492 1.00 0.00 H new ATOM 0 HE ARG A 75 -13.790 2.137 15.835 1.00 0.00 H new ATOM 0 HH11 ARG A 75 -16.245 0.494 17.770 1.00 0.00 H new ATOM 0 HH12 ARG A 75 -16.735 1.969 18.610 1.00 0.00 H new ATOM 0 HH21 ARG A 75 -14.426 4.027 16.918 1.00 0.00 H new ATOM 0 HH22 ARG A 75 -15.710 3.960 18.130 1.00 0.00 H new ATOM 1191 N SER A 76 -13.526 -2.369 14.500 1.00 0.00 N ATOM 1192 CA SER A 76 -12.229 -2.740 15.053 1.00 0.00 C ATOM 1193 C SER A 76 -11.578 -3.840 14.221 1.00 0.00 C ATOM 1194 O SER A 76 -10.392 -3.772 13.902 1.00 0.00 O ATOM 1195 CB SER A 76 -12.383 -3.205 16.503 1.00 0.00 C ATOM 1196 OG SER A 76 -13.036 -4.460 16.569 1.00 0.00 O ATOM 0 H SER A 76 -14.319 -2.845 14.930 1.00 0.00 H new ATOM 0 HA SER A 76 -11.586 -1.860 15.027 1.00 0.00 H new ATOM 0 HB2 SER A 76 -11.401 -3.277 16.971 1.00 0.00 H new ATOM 0 HB3 SER A 76 -12.952 -2.466 17.067 1.00 0.00 H new ATOM 0 HG SER A 76 -13.121 -4.736 17.506 1.00 0.00 H new ATOM 1202 N GLN A 77 -12.365 -4.854 13.873 1.00 0.00 N ATOM 1203 CA GLN A 77 -11.865 -5.970 13.079 1.00 0.00 C ATOM 1204 C GLN A 77 -10.956 -5.476 11.958 1.00 0.00 C ATOM 1205 O GLN A 77 -9.860 -6.000 11.758 1.00 0.00 O ATOM 1206 CB GLN A 77 -13.031 -6.768 12.492 1.00 0.00 C ATOM 1207 CG GLN A 77 -13.599 -7.806 13.446 1.00 0.00 C ATOM 1208 CD GLN A 77 -14.375 -8.893 12.730 1.00 0.00 C ATOM 1209 OE1 GLN A 77 -15.294 -8.612 11.959 1.00 0.00 O ATOM 1210 NE2 GLN A 77 -14.010 -10.145 12.981 1.00 0.00 N ATOM 0 H GLN A 77 -13.350 -4.925 14.128 1.00 0.00 H new ATOM 0 HA GLN A 77 -11.284 -6.618 13.735 1.00 0.00 H new ATOM 0 HB2 GLN A 77 -13.824 -6.078 12.205 1.00 0.00 H new ATOM 0 HB3 GLN A 77 -12.697 -7.267 11.582 1.00 0.00 H new ATOM 0 HG2 GLN A 77 -12.784 -8.259 14.011 1.00 0.00 H new ATOM 0 HG3 GLN A 77 -14.252 -7.313 14.166 1.00 0.00 H new ATOM 0 HE21 GLN A 77 -13.243 -10.333 13.627 1.00 0.00 H new ATOM 0 HE22 GLN A 77 -14.497 -10.919 12.528 1.00 0.00 H new ATOM 1219 N MET A 78 -11.418 -4.465 11.230 1.00 0.00 N ATOM 1220 CA MET A 78 -10.646 -3.901 10.129 1.00 0.00 C ATOM 1221 C MET A 78 -9.259 -3.475 10.601 1.00 0.00 C ATOM 1222 O MET A 78 -8.272 -3.634 9.881 1.00 0.00 O ATOM 1223 CB MET A 78 -11.381 -2.704 9.523 1.00 0.00 C ATOM 1224 CG MET A 78 -12.533 -3.096 8.613 1.00 0.00 C ATOM 1225 SD MET A 78 -13.432 -1.668 7.977 1.00 0.00 S ATOM 1226 CE MET A 78 -15.104 -2.068 8.481 1.00 0.00 C ATOM 0 H MET A 78 -12.323 -4.020 11.382 1.00 0.00 H new ATOM 0 HA MET A 78 -10.531 -4.671 9.366 1.00 0.00 H new ATOM 0 HB2 MET A 78 -11.762 -2.076 10.328 1.00 0.00 H new ATOM 0 HB3 MET A 78 -10.671 -2.100 8.957 1.00 0.00 H new ATOM 0 HG2 MET A 78 -12.148 -3.680 7.777 1.00 0.00 H new ATOM 0 HG3 MET A 78 -13.221 -3.739 9.161 1.00 0.00 H new ATOM 0 HE1 MET A 78 -15.780 -1.276 8.159 1.00 0.00 H new ATOM 0 HE2 MET A 78 -15.406 -3.011 8.025 1.00 0.00 H new ATOM 0 HE3 MET A 78 -15.145 -2.160 9.566 1.00 0.00 H new ATOM 1236 N ILE A 79 -9.191 -2.933 11.813 1.00 0.00 N ATOM 1237 CA ILE A 79 -7.925 -2.486 12.379 1.00 0.00 C ATOM 1238 C ILE A 79 -6.881 -3.597 12.339 1.00 0.00 C ATOM 1239 O ILE A 79 -5.822 -3.444 11.732 1.00 0.00 O ATOM 1240 CB ILE A 79 -8.096 -2.011 13.834 1.00 0.00 C ATOM 1241 CG1 ILE A 79 -9.101 -0.859 13.903 1.00 0.00 C ATOM 1242 CG2 ILE A 79 -6.755 -1.586 14.414 1.00 0.00 C ATOM 1243 CD1 ILE A 79 -8.480 0.500 13.666 1.00 0.00 C ATOM 0 H ILE A 79 -9.998 -2.793 12.421 1.00 0.00 H new ATOM 0 HA ILE A 79 -7.585 -1.649 11.769 1.00 0.00 H new ATOM 0 HB ILE A 79 -8.481 -2.840 14.428 1.00 0.00 H new ATOM 0 HG12 ILE A 79 -9.884 -1.026 13.163 1.00 0.00 H new ATOM 0 HG13 ILE A 79 -9.581 -0.864 14.882 1.00 0.00 H new ATOM 0 HG21 ILE A 79 -6.893 -1.253 15.443 1.00 0.00 H new ATOM 0 HG22 ILE A 79 -6.066 -2.431 14.395 1.00 0.00 H new ATOM 0 HG23 ILE A 79 -6.344 -0.769 13.820 1.00 0.00 H new ATOM 0 HD11 ILE A 79 -9.251 1.268 13.730 1.00 0.00 H new ATOM 0 HD12 ILE A 79 -7.717 0.688 14.421 1.00 0.00 H new ATOM 0 HD13 ILE A 79 -8.024 0.524 12.676 1.00 0.00 H new ATOM 1255 N GLU A 80 -7.190 -4.716 12.987 1.00 0.00 N ATOM 1256 CA GLU A 80 -6.279 -5.853 13.023 1.00 0.00 C ATOM 1257 C GLU A 80 -5.629 -6.074 11.661 1.00 0.00 C ATOM 1258 O GLU A 80 -4.428 -6.326 11.567 1.00 0.00 O ATOM 1259 CB GLU A 80 -7.023 -7.118 13.456 1.00 0.00 C ATOM 1260 CG GLU A 80 -7.336 -7.162 14.942 1.00 0.00 C ATOM 1261 CD GLU A 80 -8.280 -6.056 15.372 1.00 0.00 C ATOM 1262 OE1 GLU A 80 -7.792 -4.957 15.708 1.00 0.00 O ATOM 1263 OE2 GLU A 80 -9.507 -6.289 15.373 1.00 0.00 O ATOM 0 H GLU A 80 -8.064 -4.859 13.494 1.00 0.00 H new ATOM 0 HA GLU A 80 -5.496 -5.634 13.749 1.00 0.00 H new ATOM 0 HB2 GLU A 80 -7.955 -7.191 12.895 1.00 0.00 H new ATOM 0 HB3 GLU A 80 -6.423 -7.990 13.194 1.00 0.00 H new ATOM 0 HG2 GLU A 80 -7.778 -8.128 15.188 1.00 0.00 H new ATOM 0 HG3 GLU A 80 -6.408 -7.083 15.508 1.00 0.00 H new ATOM 1270 N ASN A 81 -6.432 -5.977 10.606 1.00 0.00 N ATOM 1271 CA ASN A 81 -5.936 -6.166 9.248 1.00 0.00 C ATOM 1272 C ASN A 81 -4.750 -5.248 8.968 1.00 0.00 C ATOM 1273 O ASN A 81 -3.626 -5.711 8.771 1.00 0.00 O ATOM 1274 CB ASN A 81 -7.051 -5.902 8.234 1.00 0.00 C ATOM 1275 CG ASN A 81 -8.295 -6.722 8.515 1.00 0.00 C ATOM 1276 OD1 ASN A 81 -8.614 -7.009 9.669 1.00 0.00 O ATOM 1277 ND2 ASN A 81 -9.004 -7.102 7.459 1.00 0.00 N ATOM 0 H ASN A 81 -7.429 -5.769 10.666 1.00 0.00 H new ATOM 0 HA ASN A 81 -5.603 -7.199 9.151 1.00 0.00 H new ATOM 0 HB2 ASN A 81 -7.307 -4.843 8.247 1.00 0.00 H new ATOM 0 HB3 ASN A 81 -6.688 -6.130 7.232 1.00 0.00 H new ATOM 0 HD21 ASN A 81 -9.852 -7.655 7.586 1.00 0.00 H new ATOM 0 HD22 ASN A 81 -8.701 -6.841 6.521 1.00 0.00 H new ATOM 1284 N ILE A 82 -5.009 -3.945 8.954 1.00 0.00 N ATOM 1285 CA ILE A 82 -3.963 -2.961 8.700 1.00 0.00 C ATOM 1286 C ILE A 82 -2.816 -3.111 9.693 1.00 0.00 C ATOM 1287 O ILE A 82 -1.645 -3.003 9.325 1.00 0.00 O ATOM 1288 CB ILE A 82 -4.511 -1.524 8.780 1.00 0.00 C ATOM 1289 CG1 ILE A 82 -5.685 -1.348 7.814 1.00 0.00 C ATOM 1290 CG2 ILE A 82 -3.410 -0.520 8.472 1.00 0.00 C ATOM 1291 CD1 ILE A 82 -6.694 -0.318 8.270 1.00 0.00 C ATOM 0 H ILE A 82 -5.934 -3.546 9.115 1.00 0.00 H new ATOM 0 HA ILE A 82 -3.594 -3.145 7.691 1.00 0.00 H new ATOM 0 HB ILE A 82 -4.869 -1.343 9.794 1.00 0.00 H new ATOM 0 HG12 ILE A 82 -5.300 -1.059 6.836 1.00 0.00 H new ATOM 0 HG13 ILE A 82 -6.188 -2.307 7.688 1.00 0.00 H new ATOM 0 HG21 ILE A 82 -3.812 0.491 8.532 1.00 0.00 H new ATOM 0 HG22 ILE A 82 -2.602 -0.633 9.195 1.00 0.00 H new ATOM 0 HG23 ILE A 82 -3.026 -0.698 7.468 1.00 0.00 H new ATOM 0 HD11 ILE A 82 -7.498 -0.247 7.537 1.00 0.00 H new ATOM 0 HD12 ILE A 82 -7.107 -0.615 9.234 1.00 0.00 H new ATOM 0 HD13 ILE A 82 -6.205 0.651 8.368 1.00 0.00 H new ATOM 1303 N ASP A 83 -3.158 -3.363 10.951 1.00 0.00 N ATOM 1304 CA ASP A 83 -2.156 -3.531 11.998 1.00 0.00 C ATOM 1305 C ASP A 83 -1.184 -4.652 11.643 1.00 0.00 C ATOM 1306 O ASP A 83 0.032 -4.469 11.688 1.00 0.00 O ATOM 1307 CB ASP A 83 -2.832 -3.830 13.337 1.00 0.00 C ATOM 1308 CG ASP A 83 -2.011 -3.351 14.519 1.00 0.00 C ATOM 1309 OD1 ASP A 83 -1.388 -2.275 14.411 1.00 0.00 O ATOM 1310 OD2 ASP A 83 -1.992 -4.054 15.551 1.00 0.00 O ATOM 0 H ASP A 83 -4.122 -3.456 11.271 1.00 0.00 H new ATOM 0 HA ASP A 83 -1.595 -2.601 12.083 1.00 0.00 H new ATOM 0 HB2 ASP A 83 -3.811 -3.352 13.361 1.00 0.00 H new ATOM 0 HB3 ASP A 83 -2.999 -4.904 13.425 1.00 0.00 H new ATOM 1315 N ALA A 84 -1.728 -5.812 11.293 1.00 0.00 N ATOM 1316 CA ALA A 84 -0.909 -6.962 10.930 1.00 0.00 C ATOM 1317 C ALA A 84 0.066 -6.610 9.812 1.00 0.00 C ATOM 1318 O ALA A 84 1.210 -7.066 9.807 1.00 0.00 O ATOM 1319 CB ALA A 84 -1.792 -8.129 10.515 1.00 0.00 C ATOM 0 H ALA A 84 -2.733 -5.981 11.253 1.00 0.00 H new ATOM 0 HA ALA A 84 -0.328 -7.254 11.805 1.00 0.00 H new ATOM 0 HB1 ALA A 84 -1.167 -8.981 10.247 1.00 0.00 H new ATOM 0 HB2 ALA A 84 -2.444 -8.404 11.344 1.00 0.00 H new ATOM 0 HB3 ALA A 84 -2.398 -7.839 9.657 1.00 0.00 H new ATOM 1325 N CYS A 85 -0.394 -5.799 8.866 1.00 0.00 N ATOM 1326 CA CYS A 85 0.439 -5.388 7.741 1.00 0.00 C ATOM 1327 C CYS A 85 1.598 -4.516 8.212 1.00 0.00 C ATOM 1328 O CYS A 85 2.724 -4.646 7.728 1.00 0.00 O ATOM 1329 CB CYS A 85 -0.399 -4.629 6.711 1.00 0.00 C ATOM 1330 SG CYS A 85 -1.879 -5.514 6.166 1.00 0.00 S ATOM 0 H CYS A 85 -1.338 -5.413 8.855 1.00 0.00 H new ATOM 0 HA CYS A 85 0.849 -6.285 7.277 1.00 0.00 H new ATOM 0 HB2 CYS A 85 -0.698 -3.671 7.136 1.00 0.00 H new ATOM 0 HB3 CYS A 85 0.222 -4.412 5.842 1.00 0.00 H new ATOM 0 HG CYS A 85 -2.691 -5.662 7.171 1.00 0.00 H new ATOM 1336 N LEU A 86 1.317 -3.627 9.158 1.00 0.00 N ATOM 1337 CA LEU A 86 2.336 -2.732 9.695 1.00 0.00 C ATOM 1338 C LEU A 86 3.413 -3.517 10.438 1.00 0.00 C ATOM 1339 O LEU A 86 4.606 -3.326 10.206 1.00 0.00 O ATOM 1340 CB LEU A 86 1.699 -1.705 10.632 1.00 0.00 C ATOM 1341 CG LEU A 86 0.623 -0.810 10.015 1.00 0.00 C ATOM 1342 CD1 LEU A 86 -0.082 -0.002 11.094 1.00 0.00 C ATOM 1343 CD2 LEU A 86 1.231 0.111 8.968 1.00 0.00 C ATOM 0 H LEU A 86 0.391 -3.507 9.569 1.00 0.00 H new ATOM 0 HA LEU A 86 2.803 -2.211 8.860 1.00 0.00 H new ATOM 0 HB2 LEU A 86 1.261 -2.236 11.477 1.00 0.00 H new ATOM 0 HB3 LEU A 86 2.488 -1.068 11.031 1.00 0.00 H new ATOM 0 HG LEU A 86 -0.115 -1.446 9.526 1.00 0.00 H new ATOM 0 HD11 LEU A 86 -0.844 0.629 10.637 1.00 0.00 H new ATOM 0 HD12 LEU A 86 -0.552 -0.679 11.807 1.00 0.00 H new ATOM 0 HD13 LEU A 86 0.644 0.624 11.612 1.00 0.00 H new ATOM 0 HD21 LEU A 86 0.451 0.740 8.540 1.00 0.00 H new ATOM 0 HD22 LEU A 86 1.990 0.740 9.433 1.00 0.00 H new ATOM 0 HD23 LEU A 86 1.689 -0.486 8.180 1.00 0.00 H new ATOM 1355 N ASN A 87 2.983 -4.401 11.332 1.00 0.00 N ATOM 1356 CA ASN A 87 3.910 -5.216 12.108 1.00 0.00 C ATOM 1357 C ASN A 87 4.696 -6.159 11.202 1.00 0.00 C ATOM 1358 O ASN A 87 5.871 -6.435 11.445 1.00 0.00 O ATOM 1359 CB ASN A 87 3.151 -6.022 13.165 1.00 0.00 C ATOM 1360 CG ASN A 87 2.561 -5.141 14.249 1.00 0.00 C ATOM 1361 OD1 ASN A 87 3.232 -4.804 15.225 1.00 0.00 O ATOM 1362 ND2 ASN A 87 1.298 -4.765 14.083 1.00 0.00 N ATOM 0 H ASN A 87 1.998 -4.571 11.537 1.00 0.00 H new ATOM 0 HA ASN A 87 4.613 -4.548 12.605 1.00 0.00 H new ATOM 0 HB2 ASN A 87 2.352 -6.586 12.684 1.00 0.00 H new ATOM 0 HB3 ASN A 87 3.826 -6.748 13.618 1.00 0.00 H new ATOM 0 HD21 ASN A 87 0.846 -4.173 14.780 1.00 0.00 H new ATOM 0 HD22 ASN A 87 0.780 -5.068 13.258 1.00 0.00 H new ATOM 1369 N PHE A 88 4.040 -6.649 10.155 1.00 0.00 N ATOM 1370 CA PHE A 88 4.677 -7.560 9.212 1.00 0.00 C ATOM 1371 C PHE A 88 5.776 -6.850 8.428 1.00 0.00 C ATOM 1372 O PHE A 88 6.812 -7.440 8.116 1.00 0.00 O ATOM 1373 CB PHE A 88 3.638 -8.138 8.248 1.00 0.00 C ATOM 1374 CG PHE A 88 4.226 -8.620 6.952 1.00 0.00 C ATOM 1375 CD1 PHE A 88 4.475 -7.734 5.917 1.00 0.00 C ATOM 1376 CD2 PHE A 88 4.529 -9.960 6.770 1.00 0.00 C ATOM 1377 CE1 PHE A 88 5.017 -8.175 4.724 1.00 0.00 C ATOM 1378 CE2 PHE A 88 5.071 -10.407 5.580 1.00 0.00 C ATOM 1379 CZ PHE A 88 5.314 -9.513 4.555 1.00 0.00 C ATOM 0 H PHE A 88 3.068 -6.430 9.939 1.00 0.00 H new ATOM 0 HA PHE A 88 5.128 -8.374 9.779 1.00 0.00 H new ATOM 0 HB2 PHE A 88 3.124 -8.966 8.735 1.00 0.00 H new ATOM 0 HB3 PHE A 88 2.887 -7.377 8.036 1.00 0.00 H new ATOM 0 HD1 PHE A 88 4.243 -6.687 6.043 1.00 0.00 H new ATOM 0 HD2 PHE A 88 4.339 -10.663 7.567 1.00 0.00 H new ATOM 0 HE1 PHE A 88 5.208 -7.474 3.925 1.00 0.00 H new ATOM 0 HE2 PHE A 88 5.304 -11.454 5.451 1.00 0.00 H new ATOM 0 HZ PHE A 88 5.736 -9.860 3.623 1.00 0.00 H new ATOM 1389 N LEU A 89 5.544 -5.581 8.111 1.00 0.00 N ATOM 1390 CA LEU A 89 6.514 -4.790 7.362 1.00 0.00 C ATOM 1391 C LEU A 89 7.716 -4.437 8.232 1.00 0.00 C ATOM 1392 O LEU A 89 8.863 -4.558 7.802 1.00 0.00 O ATOM 1393 CB LEU A 89 5.859 -3.512 6.834 1.00 0.00 C ATOM 1394 CG LEU A 89 4.892 -3.688 5.663 1.00 0.00 C ATOM 1395 CD1 LEU A 89 4.425 -2.335 5.148 1.00 0.00 C ATOM 1396 CD2 LEU A 89 5.546 -4.489 4.547 1.00 0.00 C ATOM 0 H LEU A 89 4.693 -5.078 8.361 1.00 0.00 H new ATOM 0 HA LEU A 89 6.862 -5.388 6.520 1.00 0.00 H new ATOM 0 HB2 LEU A 89 5.321 -3.037 7.655 1.00 0.00 H new ATOM 0 HB3 LEU A 89 6.647 -2.823 6.528 1.00 0.00 H new ATOM 0 HG LEU A 89 4.021 -4.240 6.016 1.00 0.00 H new ATOM 0 HD11 LEU A 89 3.738 -2.480 4.315 1.00 0.00 H new ATOM 0 HD12 LEU A 89 3.917 -1.797 5.948 1.00 0.00 H new ATOM 0 HD13 LEU A 89 5.286 -1.757 4.812 1.00 0.00 H new ATOM 0 HD21 LEU A 89 4.843 -4.604 3.722 1.00 0.00 H new ATOM 0 HD22 LEU A 89 6.435 -3.965 4.196 1.00 0.00 H new ATOM 0 HD23 LEU A 89 5.829 -5.472 4.923 1.00 0.00 H new ATOM 1408 N ALA A 90 7.445 -4.000 9.458 1.00 0.00 N ATOM 1409 CA ALA A 90 8.505 -3.634 10.390 1.00 0.00 C ATOM 1410 C ALA A 90 9.548 -4.741 10.497 1.00 0.00 C ATOM 1411 O ALA A 90 10.750 -4.477 10.476 1.00 0.00 O ATOM 1412 CB ALA A 90 7.919 -3.323 11.759 1.00 0.00 C ATOM 0 H ALA A 90 6.501 -3.891 9.829 1.00 0.00 H new ATOM 0 HA ALA A 90 9.000 -2.741 10.008 1.00 0.00 H new ATOM 0 HB1 ALA A 90 8.721 -3.051 12.445 1.00 0.00 H new ATOM 0 HB2 ALA A 90 7.217 -2.493 11.674 1.00 0.00 H new ATOM 0 HB3 ALA A 90 7.398 -4.201 12.140 1.00 0.00 H new ATOM 1418 N ALA A 91 9.081 -5.979 10.613 1.00 0.00 N ATOM 1419 CA ALA A 91 9.974 -7.126 10.722 1.00 0.00 C ATOM 1420 C ALA A 91 10.859 -7.253 9.487 1.00 0.00 C ATOM 1421 O ALA A 91 11.977 -7.763 9.560 1.00 0.00 O ATOM 1422 CB ALA A 91 9.172 -8.402 10.933 1.00 0.00 C ATOM 0 H ALA A 91 8.089 -6.214 10.634 1.00 0.00 H new ATOM 0 HA ALA A 91 10.621 -6.970 11.585 1.00 0.00 H new ATOM 0 HB1 ALA A 91 9.852 -9.250 11.013 1.00 0.00 H new ATOM 0 HB2 ALA A 91 8.588 -8.318 11.850 1.00 0.00 H new ATOM 0 HB3 ALA A 91 8.500 -8.554 10.088 1.00 0.00 H new ATOM 1428 N LYS A 92 10.351 -6.786 8.351 1.00 0.00 N ATOM 1429 CA LYS A 92 11.094 -6.846 7.098 1.00 0.00 C ATOM 1430 C LYS A 92 12.152 -5.748 7.040 1.00 0.00 C ATOM 1431 O LYS A 92 13.008 -5.743 6.156 1.00 0.00 O ATOM 1432 CB LYS A 92 10.141 -6.713 5.909 1.00 0.00 C ATOM 1433 CG LYS A 92 9.076 -7.794 5.859 1.00 0.00 C ATOM 1434 CD LYS A 92 9.670 -9.147 5.502 1.00 0.00 C ATOM 1435 CE LYS A 92 8.586 -10.193 5.290 1.00 0.00 C ATOM 1436 NZ LYS A 92 8.077 -10.188 3.890 1.00 0.00 N ATOM 0 H LYS A 92 9.427 -6.361 8.273 1.00 0.00 H new ATOM 0 HA LYS A 92 11.595 -7.813 7.048 1.00 0.00 H new ATOM 0 HB2 LYS A 92 9.655 -5.738 5.951 1.00 0.00 H new ATOM 0 HB3 LYS A 92 10.719 -6.742 4.986 1.00 0.00 H new ATOM 0 HG2 LYS A 92 8.576 -7.859 6.826 1.00 0.00 H new ATOM 0 HG3 LYS A 92 8.317 -7.524 5.125 1.00 0.00 H new ATOM 0 HD2 LYS A 92 10.270 -9.055 4.597 1.00 0.00 H new ATOM 0 HD3 LYS A 92 10.341 -9.472 6.297 1.00 0.00 H new ATOM 0 HE2 LYS A 92 8.982 -11.180 5.529 1.00 0.00 H new ATOM 0 HE3 LYS A 92 7.761 -10.006 5.977 1.00 0.00 H new ATOM 0 HZ1 LYS A 92 7.733 -11.138 3.642 1.00 0.00 H new ATOM 0 HZ2 LYS A 92 7.297 -9.505 3.806 1.00 0.00 H new ATOM 0 HZ3 LYS A 92 8.845 -9.918 3.242 1.00 0.00 H new ATOM 1450 N GLY A 93 12.089 -4.820 7.990 1.00 0.00 N ATOM 1451 CA GLY A 93 13.048 -3.732 8.029 1.00 0.00 C ATOM 1452 C GLY A 93 12.471 -2.431 7.508 1.00 0.00 C ATOM 1453 O GLY A 93 13.200 -1.582 6.996 1.00 0.00 O ATOM 0 H GLY A 93 11.391 -4.802 8.733 1.00 0.00 H new ATOM 0 HA2 GLY A 93 13.389 -3.590 9.054 1.00 0.00 H new ATOM 0 HA3 GLY A 93 13.922 -4.001 7.436 1.00 0.00 H new ATOM 1457 N ILE A 94 11.157 -2.275 7.636 1.00 0.00 N ATOM 1458 CA ILE A 94 10.483 -1.069 7.173 1.00 0.00 C ATOM 1459 C ILE A 94 10.015 -0.216 8.347 1.00 0.00 C ATOM 1460 O ILE A 94 9.270 -0.681 9.208 1.00 0.00 O ATOM 1461 CB ILE A 94 9.271 -1.407 6.284 1.00 0.00 C ATOM 1462 CG1 ILE A 94 9.728 -2.128 5.015 1.00 0.00 C ATOM 1463 CG2 ILE A 94 8.502 -0.142 5.934 1.00 0.00 C ATOM 1464 CD1 ILE A 94 8.606 -2.830 4.281 1.00 0.00 C ATOM 0 H ILE A 94 10.539 -2.969 8.056 1.00 0.00 H new ATOM 0 HA ILE A 94 11.209 -0.508 6.585 1.00 0.00 H new ATOM 0 HB ILE A 94 8.607 -2.071 6.837 1.00 0.00 H new ATOM 0 HG12 ILE A 94 10.194 -1.406 4.344 1.00 0.00 H new ATOM 0 HG13 ILE A 94 10.493 -2.859 5.278 1.00 0.00 H new ATOM 0 HG21 ILE A 94 7.649 -0.397 5.306 1.00 0.00 H new ATOM 0 HG22 ILE A 94 8.149 0.334 6.849 1.00 0.00 H new ATOM 0 HG23 ILE A 94 9.156 0.544 5.396 1.00 0.00 H new ATOM 0 HD11 ILE A 94 9.003 -3.319 3.392 1.00 0.00 H new ATOM 0 HD12 ILE A 94 8.154 -3.576 4.935 1.00 0.00 H new ATOM 0 HD13 ILE A 94 7.851 -2.101 3.987 1.00 0.00 H new ATOM 1526 N GLY A 98 5.195 5.968 13.745 1.00 0.00 N ATOM 1527 CA GLY A 98 4.560 7.211 13.347 1.00 0.00 C ATOM 1528 C GLY A 98 3.181 6.994 12.755 1.00 0.00 C ATOM 1529 O GLY A 98 2.262 7.776 13.001 1.00 0.00 O ATOM 0 HA2 GLY A 98 4.481 7.869 14.213 1.00 0.00 H new ATOM 0 HA3 GLY A 98 5.190 7.720 12.617 1.00 0.00 H new ATOM 1533 N LEU A 99 3.036 5.931 11.971 1.00 0.00 N ATOM 1534 CA LEU A 99 1.760 5.615 11.340 1.00 0.00 C ATOM 1535 C LEU A 99 0.692 5.322 12.389 1.00 0.00 C ATOM 1536 O LEU A 99 0.950 5.396 13.590 1.00 0.00 O ATOM 1537 CB LEU A 99 1.915 4.414 10.405 1.00 0.00 C ATOM 1538 CG LEU A 99 2.850 4.609 9.211 1.00 0.00 C ATOM 1539 CD1 LEU A 99 3.157 3.275 8.549 1.00 0.00 C ATOM 1540 CD2 LEU A 99 2.239 5.576 8.207 1.00 0.00 C ATOM 0 H LEU A 99 3.786 5.274 11.757 1.00 0.00 H new ATOM 0 HA LEU A 99 1.445 6.482 10.759 1.00 0.00 H new ATOM 0 HB2 LEU A 99 2.277 3.568 10.990 1.00 0.00 H new ATOM 0 HB3 LEU A 99 0.929 4.143 10.028 1.00 0.00 H new ATOM 0 HG LEU A 99 3.786 5.035 9.573 1.00 0.00 H new ATOM 0 HD11 LEU A 99 3.824 3.434 7.701 1.00 0.00 H new ATOM 0 HD12 LEU A 99 3.638 2.613 9.270 1.00 0.00 H new ATOM 0 HD13 LEU A 99 2.230 2.820 8.201 1.00 0.00 H new ATOM 0 HD21 LEU A 99 2.918 5.703 7.364 1.00 0.00 H new ATOM 0 HD22 LEU A 99 1.289 5.178 7.851 1.00 0.00 H new ATOM 0 HD23 LEU A 99 2.072 6.541 8.686 1.00 0.00 H new ATOM 1552 N SER A 100 -0.509 4.988 11.927 1.00 0.00 N ATOM 1553 CA SER A 100 -1.617 4.686 12.825 1.00 0.00 C ATOM 1554 C SER A 100 -2.727 3.942 12.087 1.00 0.00 C ATOM 1555 O SER A 100 -3.450 4.526 11.280 1.00 0.00 O ATOM 1556 CB SER A 100 -2.170 5.973 13.438 1.00 0.00 C ATOM 1557 OG SER A 100 -1.335 6.441 14.483 1.00 0.00 O ATOM 0 H SER A 100 -0.739 4.920 10.936 1.00 0.00 H new ATOM 0 HA SER A 100 -1.242 4.045 13.623 1.00 0.00 H new ATOM 0 HB2 SER A 100 -2.256 6.739 12.667 1.00 0.00 H new ATOM 0 HB3 SER A 100 -3.174 5.794 13.823 1.00 0.00 H new ATOM 0 HG SER A 100 -0.483 5.957 14.463 1.00 0.00 H new ATOM 1563 N ALA A 101 -2.855 2.650 12.371 1.00 0.00 N ATOM 1564 CA ALA A 101 -3.877 1.827 11.737 1.00 0.00 C ATOM 1565 C ALA A 101 -5.212 2.562 11.672 1.00 0.00 C ATOM 1566 O ALA A 101 -5.892 2.541 10.646 1.00 0.00 O ATOM 1567 CB ALA A 101 -4.033 0.511 12.485 1.00 0.00 C ATOM 0 H ALA A 101 -2.264 2.151 13.036 1.00 0.00 H new ATOM 0 HA ALA A 101 -3.558 1.617 10.716 1.00 0.00 H new ATOM 0 HB1 ALA A 101 -4.800 -0.094 12.001 1.00 0.00 H new ATOM 0 HB2 ALA A 101 -3.085 -0.028 12.475 1.00 0.00 H new ATOM 0 HB3 ALA A 101 -4.326 0.711 13.516 1.00 0.00 H new ATOM 1573 N GLU A 102 -5.580 3.210 12.773 1.00 0.00 N ATOM 1574 CA GLU A 102 -6.835 3.950 12.839 1.00 0.00 C ATOM 1575 C GLU A 102 -6.894 5.018 11.752 1.00 0.00 C ATOM 1576 O GLU A 102 -7.855 5.087 10.987 1.00 0.00 O ATOM 1577 CB GLU A 102 -6.998 4.597 14.216 1.00 0.00 C ATOM 1578 CG GLU A 102 -8.430 4.993 14.536 1.00 0.00 C ATOM 1579 CD GLU A 102 -8.555 5.701 15.871 1.00 0.00 C ATOM 1580 OE1 GLU A 102 -8.154 6.881 15.955 1.00 0.00 O ATOM 1581 OE2 GLU A 102 -9.053 5.077 16.830 1.00 0.00 O ATOM 0 H GLU A 102 -5.028 3.238 13.630 1.00 0.00 H new ATOM 0 HA GLU A 102 -7.652 3.247 12.677 1.00 0.00 H new ATOM 0 HB2 GLU A 102 -6.642 3.904 14.978 1.00 0.00 H new ATOM 0 HB3 GLU A 102 -6.364 5.482 14.270 1.00 0.00 H new ATOM 0 HG2 GLU A 102 -8.808 5.643 13.747 1.00 0.00 H new ATOM 0 HG3 GLU A 102 -9.057 4.101 14.542 1.00 0.00 H new ATOM 1588 N GLU A 103 -5.859 5.851 11.691 1.00 0.00 N ATOM 1589 CA GLU A 103 -5.795 6.917 10.699 1.00 0.00 C ATOM 1590 C GLU A 103 -5.957 6.358 9.288 1.00 0.00 C ATOM 1591 O GLU A 103 -6.657 6.938 8.456 1.00 0.00 O ATOM 1592 CB GLU A 103 -4.467 7.670 10.811 1.00 0.00 C ATOM 1593 CG GLU A 103 -4.290 8.397 12.133 1.00 0.00 C ATOM 1594 CD GLU A 103 -5.154 9.639 12.236 1.00 0.00 C ATOM 1595 OE1 GLU A 103 -4.861 10.627 11.530 1.00 0.00 O ATOM 1596 OE2 GLU A 103 -6.124 9.624 13.022 1.00 0.00 O ATOM 0 H GLU A 103 -5.055 5.808 12.317 1.00 0.00 H new ATOM 0 HA GLU A 103 -6.614 7.609 10.894 1.00 0.00 H new ATOM 0 HB2 GLU A 103 -3.647 6.964 10.681 1.00 0.00 H new ATOM 0 HB3 GLU A 103 -4.398 8.392 9.997 1.00 0.00 H new ATOM 0 HG2 GLU A 103 -4.535 7.720 12.951 1.00 0.00 H new ATOM 0 HG3 GLU A 103 -3.243 8.676 12.253 1.00 0.00 H new ATOM 1603 N ILE A 104 -5.306 5.230 9.026 1.00 0.00 N ATOM 1604 CA ILE A 104 -5.378 4.593 7.718 1.00 0.00 C ATOM 1605 C ILE A 104 -6.792 4.106 7.421 1.00 0.00 C ATOM 1606 O ILE A 104 -7.288 4.253 6.304 1.00 0.00 O ATOM 1607 CB ILE A 104 -4.405 3.403 7.616 1.00 0.00 C ATOM 1608 CG1 ILE A 104 -2.970 3.866 7.877 1.00 0.00 C ATOM 1609 CG2 ILE A 104 -4.515 2.744 6.250 1.00 0.00 C ATOM 1610 CD1 ILE A 104 -1.933 2.796 7.617 1.00 0.00 C ATOM 0 H ILE A 104 -4.722 4.738 9.703 1.00 0.00 H new ATOM 0 HA ILE A 104 -5.094 5.347 6.984 1.00 0.00 H new ATOM 0 HB ILE A 104 -4.673 2.667 8.374 1.00 0.00 H new ATOM 0 HG12 ILE A 104 -2.755 4.729 7.247 1.00 0.00 H new ATOM 0 HG13 ILE A 104 -2.886 4.198 8.912 1.00 0.00 H new ATOM 0 HG21 ILE A 104 -3.821 1.905 6.194 1.00 0.00 H new ATOM 0 HG22 ILE A 104 -5.533 2.384 6.101 1.00 0.00 H new ATOM 0 HG23 ILE A 104 -4.270 3.470 5.475 1.00 0.00 H new ATOM 0 HD11 ILE A 104 -0.940 3.195 7.823 1.00 0.00 H new ATOM 0 HD12 ILE A 104 -2.122 1.941 8.266 1.00 0.00 H new ATOM 0 HD13 ILE A 104 -1.989 2.481 6.575 1.00 0.00 H new ATOM 1622 N ARG A 105 -7.436 3.526 8.429 1.00 0.00 N ATOM 1623 CA ARG A 105 -8.794 3.017 8.276 1.00 0.00 C ATOM 1624 C ARG A 105 -9.757 4.142 7.907 1.00 0.00 C ATOM 1625 O ARG A 105 -10.708 3.935 7.155 1.00 0.00 O ATOM 1626 CB ARG A 105 -9.255 2.339 9.567 1.00 0.00 C ATOM 1627 CG ARG A 105 -10.674 1.800 9.498 1.00 0.00 C ATOM 1628 CD ARG A 105 -10.989 0.906 10.688 1.00 0.00 C ATOM 1629 NE ARG A 105 -12.411 0.917 11.019 1.00 0.00 N ATOM 1630 CZ ARG A 105 -13.063 2.000 11.426 1.00 0.00 C ATOM 1631 NH1 ARG A 105 -12.423 3.155 11.551 1.00 0.00 N ATOM 1632 NH2 ARG A 105 -14.358 1.930 11.709 1.00 0.00 N ATOM 0 H ARG A 105 -7.039 3.397 9.360 1.00 0.00 H new ATOM 0 HA ARG A 105 -8.793 2.284 7.469 1.00 0.00 H new ATOM 0 HB2 ARG A 105 -8.575 1.520 9.800 1.00 0.00 H new ATOM 0 HB3 ARG A 105 -9.186 3.053 10.387 1.00 0.00 H new ATOM 0 HG2 ARG A 105 -11.379 2.631 9.469 1.00 0.00 H new ATOM 0 HG3 ARG A 105 -10.806 1.237 8.574 1.00 0.00 H new ATOM 0 HD2 ARG A 105 -10.676 -0.115 10.468 1.00 0.00 H new ATOM 0 HD3 ARG A 105 -10.413 1.237 11.552 1.00 0.00 H new ATOM 0 HE ARG A 105 -12.932 0.045 10.933 1.00 0.00 H new ATOM 0 HH11 ARG A 105 -11.428 3.213 11.334 1.00 0.00 H new ATOM 0 HH12 ARG A 105 -12.926 3.985 11.864 1.00 0.00 H new ATOM 0 HH21 ARG A 105 -14.854 1.044 11.614 1.00 0.00 H new ATOM 0 HH22 ARG A 105 -14.857 2.763 12.022 1.00 0.00 H new ATOM 1646 N ASN A 106 -9.503 5.331 8.444 1.00 0.00 N ATOM 1647 CA ASN A 106 -10.349 6.488 8.172 1.00 0.00 C ATOM 1648 C ASN A 106 -10.134 6.997 6.750 1.00 0.00 C ATOM 1649 O ASN A 106 -11.024 7.603 6.155 1.00 0.00 O ATOM 1650 CB ASN A 106 -10.057 7.606 9.175 1.00 0.00 C ATOM 1651 CG ASN A 106 -10.867 7.464 10.450 1.00 0.00 C ATOM 1652 OD1 ASN A 106 -12.097 7.413 10.414 1.00 0.00 O ATOM 1653 ND2 ASN A 106 -10.180 7.402 11.584 1.00 0.00 N ATOM 0 H ASN A 106 -8.719 5.519 9.069 1.00 0.00 H new ATOM 0 HA ASN A 106 -11.389 6.179 8.275 1.00 0.00 H new ATOM 0 HB2 ASN A 106 -8.995 7.603 9.420 1.00 0.00 H new ATOM 0 HB3 ASN A 106 -10.275 8.570 8.715 1.00 0.00 H new ATOM 0 HD21 ASN A 106 -10.671 7.308 12.473 1.00 0.00 H new ATOM 0 HD22 ASN A 106 -9.161 7.448 11.566 1.00 0.00 H new ATOM 1660 N GLY A 107 -8.944 6.746 6.211 1.00 0.00 N ATOM 1661 CA GLY A 107 -8.634 7.185 4.863 1.00 0.00 C ATOM 1662 C GLY A 107 -7.793 8.447 4.844 1.00 0.00 C ATOM 1663 O GLY A 107 -7.761 9.164 3.845 1.00 0.00 O ATOM 0 H GLY A 107 -8.190 6.247 6.684 1.00 0.00 H new ATOM 0 HA2 GLY A 107 -8.104 6.390 4.338 1.00 0.00 H new ATOM 0 HA3 GLY A 107 -9.562 7.362 4.319 1.00 0.00 H new ATOM 1667 N ASN A 108 -7.111 8.718 5.951 1.00 0.00 N ATOM 1668 CA ASN A 108 -6.267 9.903 6.058 1.00 0.00 C ATOM 1669 C ASN A 108 -5.068 9.804 5.121 1.00 0.00 C ATOM 1670 O ASN A 108 -4.133 9.041 5.369 1.00 0.00 O ATOM 1671 CB ASN A 108 -5.788 10.085 7.500 1.00 0.00 C ATOM 1672 CG ASN A 108 -5.305 11.496 7.775 1.00 0.00 C ATOM 1673 OD1 ASN A 108 -5.833 12.463 7.226 1.00 0.00 O ATOM 1674 ND2 ASN A 108 -4.295 11.620 8.629 1.00 0.00 N ATOM 0 H ASN A 108 -7.126 8.134 6.787 1.00 0.00 H new ATOM 0 HA ASN A 108 -6.862 10.769 5.767 1.00 0.00 H new ATOM 0 HB2 ASN A 108 -6.602 9.843 8.184 1.00 0.00 H new ATOM 0 HB3 ASN A 108 -4.981 9.381 7.703 1.00 0.00 H new ATOM 0 HD21 ASN A 108 -3.927 12.545 8.853 1.00 0.00 H new ATOM 0 HD22 ASN A 108 -3.888 10.791 9.061 1.00 0.00 H new ATOM 1681 N LEU A 109 -5.101 10.580 4.043 1.00 0.00 N ATOM 1682 CA LEU A 109 -4.016 10.581 3.067 1.00 0.00 C ATOM 1683 C LEU A 109 -2.659 10.571 3.762 1.00 0.00 C ATOM 1684 O LEU A 109 -1.889 9.619 3.633 1.00 0.00 O ATOM 1685 CB LEU A 109 -4.126 11.803 2.154 1.00 0.00 C ATOM 1686 CG LEU A 109 -3.591 11.629 0.732 1.00 0.00 C ATOM 1687 CD1 LEU A 109 -4.288 10.469 0.038 1.00 0.00 C ATOM 1688 CD2 LEU A 109 -3.766 12.913 -0.064 1.00 0.00 C ATOM 0 H LEU A 109 -5.867 11.216 3.823 1.00 0.00 H new ATOM 0 HA LEU A 109 -4.101 9.677 2.464 1.00 0.00 H new ATOM 0 HB2 LEU A 109 -5.175 12.093 2.093 1.00 0.00 H new ATOM 0 HB3 LEU A 109 -3.593 12.631 2.622 1.00 0.00 H new ATOM 0 HG LEU A 109 -2.526 11.404 0.789 1.00 0.00 H new ATOM 0 HD11 LEU A 109 -3.895 10.360 -0.973 1.00 0.00 H new ATOM 0 HD12 LEU A 109 -4.110 9.551 0.597 1.00 0.00 H new ATOM 0 HD13 LEU A 109 -5.359 10.664 -0.009 1.00 0.00 H new ATOM 0 HD21 LEU A 109 -3.380 12.771 -1.073 1.00 0.00 H new ATOM 0 HD22 LEU A 109 -4.824 13.169 -0.113 1.00 0.00 H new ATOM 0 HD23 LEU A 109 -3.219 13.720 0.423 1.00 0.00 H new ATOM 1700 N LYS A 110 -2.371 11.637 4.502 1.00 0.00 N ATOM 1701 CA LYS A 110 -1.108 11.751 5.222 1.00 0.00 C ATOM 1702 C LYS A 110 -0.640 10.387 5.719 1.00 0.00 C ATOM 1703 O LYS A 110 0.556 10.101 5.738 1.00 0.00 O ATOM 1704 CB LYS A 110 -1.256 12.713 6.402 1.00 0.00 C ATOM 1705 CG LYS A 110 -0.961 14.161 6.048 1.00 0.00 C ATOM 1706 CD LYS A 110 0.527 14.396 5.855 1.00 0.00 C ATOM 1707 CE LYS A 110 0.920 15.818 6.225 1.00 0.00 C ATOM 1708 NZ LYS A 110 0.531 16.794 5.170 1.00 0.00 N ATOM 0 H LYS A 110 -2.996 12.435 4.619 1.00 0.00 H new ATOM 0 HA LYS A 110 -0.359 12.143 4.533 1.00 0.00 H new ATOM 0 HB2 LYS A 110 -2.271 12.643 6.792 1.00 0.00 H new ATOM 0 HB3 LYS A 110 -0.585 12.399 7.202 1.00 0.00 H new ATOM 0 HG2 LYS A 110 -1.494 14.429 5.136 1.00 0.00 H new ATOM 0 HG3 LYS A 110 -1.334 14.813 6.838 1.00 0.00 H new ATOM 0 HD2 LYS A 110 1.090 13.691 6.467 1.00 0.00 H new ATOM 0 HD3 LYS A 110 0.795 14.202 4.817 1.00 0.00 H new ATOM 0 HE2 LYS A 110 0.445 16.093 7.167 1.00 0.00 H new ATOM 0 HE3 LYS A 110 1.997 15.867 6.385 1.00 0.00 H new ATOM 0 HZ1 LYS A 110 0.530 17.754 5.569 1.00 0.00 H new ATOM 0 HZ2 LYS A 110 1.212 16.746 4.385 1.00 0.00 H new ATOM 0 HZ3 LYS A 110 -0.420 16.564 4.818 1.00 0.00 H new ATOM 1722 N ALA A 111 -1.591 9.550 6.120 1.00 0.00 N ATOM 1723 CA ALA A 111 -1.276 8.215 6.613 1.00 0.00 C ATOM 1724 C ALA A 111 -0.973 7.262 5.463 1.00 0.00 C ATOM 1725 O ALA A 111 0.178 6.884 5.244 1.00 0.00 O ATOM 1726 CB ALA A 111 -2.423 7.680 7.457 1.00 0.00 C ATOM 0 H ALA A 111 -2.586 9.773 6.113 1.00 0.00 H new ATOM 0 HA ALA A 111 -0.384 8.286 7.235 1.00 0.00 H new ATOM 0 HB1 ALA A 111 -2.174 6.682 7.819 1.00 0.00 H new ATOM 0 HB2 ALA A 111 -2.590 8.343 8.306 1.00 0.00 H new ATOM 0 HB3 ALA A 111 -3.328 7.631 6.852 1.00 0.00 H new ATOM 1732 N ILE A 112 -2.013 6.875 4.732 1.00 0.00 N ATOM 1733 CA ILE A 112 -1.857 5.966 3.603 1.00 0.00 C ATOM 1734 C ILE A 112 -0.572 6.257 2.836 1.00 0.00 C ATOM 1735 O ILE A 112 0.238 5.361 2.596 1.00 0.00 O ATOM 1736 CB ILE A 112 -3.052 6.059 2.636 1.00 0.00 C ATOM 1737 CG1 ILE A 112 -4.350 5.687 3.357 1.00 0.00 C ATOM 1738 CG2 ILE A 112 -2.831 5.154 1.433 1.00 0.00 C ATOM 1739 CD1 ILE A 112 -5.045 6.869 3.995 1.00 0.00 C ATOM 0 H ILE A 112 -2.973 7.177 4.901 1.00 0.00 H new ATOM 0 HA ILE A 112 -1.811 4.958 4.014 1.00 0.00 H new ATOM 0 HB ILE A 112 -3.136 7.087 2.283 1.00 0.00 H new ATOM 0 HG12 ILE A 112 -5.029 5.216 2.646 1.00 0.00 H new ATOM 0 HG13 ILE A 112 -4.130 4.946 4.126 1.00 0.00 H new ATOM 0 HG21 ILE A 112 -3.684 5.230 0.759 1.00 0.00 H new ATOM 0 HG22 ILE A 112 -1.925 5.460 0.909 1.00 0.00 H new ATOM 0 HG23 ILE A 112 -2.725 4.122 1.768 1.00 0.00 H new ATOM 0 HD11 ILE A 112 -5.957 6.532 4.488 1.00 0.00 H new ATOM 0 HD12 ILE A 112 -4.383 7.327 4.730 1.00 0.00 H new ATOM 0 HD13 ILE A 112 -5.296 7.601 3.227 1.00 0.00 H new ATOM 1751 N LEU A 113 -0.391 7.516 2.453 1.00 0.00 N ATOM 1752 CA LEU A 113 0.798 7.928 1.714 1.00 0.00 C ATOM 1753 C LEU A 113 2.067 7.488 2.436 1.00 0.00 C ATOM 1754 O LEU A 113 2.981 6.935 1.825 1.00 0.00 O ATOM 1755 CB LEU A 113 0.805 9.446 1.525 1.00 0.00 C ATOM 1756 CG LEU A 113 -0.182 9.998 0.496 1.00 0.00 C ATOM 1757 CD1 LEU A 113 0.115 11.461 0.205 1.00 0.00 C ATOM 1758 CD2 LEU A 113 -0.133 9.177 -0.784 1.00 0.00 C ATOM 0 H LEU A 113 -1.052 8.269 2.642 1.00 0.00 H new ATOM 0 HA LEU A 113 0.773 7.447 0.736 1.00 0.00 H new ATOM 0 HB2 LEU A 113 0.595 9.913 2.487 1.00 0.00 H new ATOM 0 HB3 LEU A 113 1.810 9.751 1.235 1.00 0.00 H new ATOM 0 HG LEU A 113 -1.188 9.927 0.910 1.00 0.00 H new ATOM 0 HD11 LEU A 113 -0.597 11.838 -0.529 1.00 0.00 H new ATOM 0 HD12 LEU A 113 0.028 12.040 1.125 1.00 0.00 H new ATOM 0 HD13 LEU A 113 1.127 11.555 -0.189 1.00 0.00 H new ATOM 0 HD21 LEU A 113 -0.842 9.584 -1.505 1.00 0.00 H new ATOM 0 HD22 LEU A 113 0.873 9.215 -1.203 1.00 0.00 H new ATOM 0 HD23 LEU A 113 -0.395 8.142 -0.563 1.00 0.00 H new ATOM 1770 N GLY A 114 2.116 7.735 3.741 1.00 0.00 N ATOM 1771 CA GLY A 114 3.277 7.356 4.525 1.00 0.00 C ATOM 1772 C GLY A 114 3.574 5.872 4.442 1.00 0.00 C ATOM 1773 O GLY A 114 4.736 5.463 4.441 1.00 0.00 O ATOM 0 H GLY A 114 1.372 8.191 4.270 1.00 0.00 H new ATOM 0 HA2 GLY A 114 4.145 7.917 4.178 1.00 0.00 H new ATOM 0 HA3 GLY A 114 3.114 7.633 5.567 1.00 0.00 H new ATOM 1777 N LEU A 115 2.522 5.063 4.373 1.00 0.00 N ATOM 1778 CA LEU A 115 2.675 3.615 4.290 1.00 0.00 C ATOM 1779 C LEU A 115 3.324 3.210 2.970 1.00 0.00 C ATOM 1780 O LEU A 115 4.368 2.557 2.954 1.00 0.00 O ATOM 1781 CB LEU A 115 1.315 2.930 4.435 1.00 0.00 C ATOM 1782 CG LEU A 115 1.163 1.584 3.724 1.00 0.00 C ATOM 1783 CD1 LEU A 115 0.179 0.695 4.470 1.00 0.00 C ATOM 1784 CD2 LEU A 115 0.713 1.790 2.285 1.00 0.00 C ATOM 0 H LEU A 115 1.554 5.385 4.373 1.00 0.00 H new ATOM 0 HA LEU A 115 3.325 3.296 5.105 1.00 0.00 H new ATOM 0 HB2 LEU A 115 1.116 2.782 5.496 1.00 0.00 H new ATOM 0 HB3 LEU A 115 0.548 3.606 4.058 1.00 0.00 H new ATOM 0 HG LEU A 115 2.134 1.088 3.713 1.00 0.00 H new ATOM 0 HD11 LEU A 115 0.083 -0.258 3.950 1.00 0.00 H new ATOM 0 HD12 LEU A 115 0.542 0.521 5.483 1.00 0.00 H new ATOM 0 HD13 LEU A 115 -0.794 1.185 4.512 1.00 0.00 H new ATOM 0 HD21 LEU A 115 0.610 0.822 1.794 1.00 0.00 H new ATOM 0 HD22 LEU A 115 -0.247 2.306 2.274 1.00 0.00 H new ATOM 0 HD23 LEU A 115 1.453 2.389 1.755 1.00 0.00 H new ATOM 1796 N PHE A 116 2.700 3.604 1.865 1.00 0.00 N ATOM 1797 CA PHE A 116 3.217 3.283 0.540 1.00 0.00 C ATOM 1798 C PHE A 116 4.552 3.979 0.294 1.00 0.00 C ATOM 1799 O PHE A 116 5.282 3.636 -0.636 1.00 0.00 O ATOM 1800 CB PHE A 116 2.210 3.693 -0.537 1.00 0.00 C ATOM 1801 CG PHE A 116 1.216 2.616 -0.869 1.00 0.00 C ATOM 1802 CD1 PHE A 116 1.579 1.543 -1.666 1.00 0.00 C ATOM 1803 CD2 PHE A 116 -0.081 2.679 -0.385 1.00 0.00 C ATOM 1804 CE1 PHE A 116 0.668 0.550 -1.973 1.00 0.00 C ATOM 1805 CE2 PHE A 116 -0.996 1.689 -0.689 1.00 0.00 C ATOM 1806 CZ PHE A 116 -0.622 0.624 -1.485 1.00 0.00 C ATOM 0 H PHE A 116 1.836 4.146 1.861 1.00 0.00 H new ATOM 0 HA PHE A 116 3.374 2.205 0.490 1.00 0.00 H new ATOM 0 HB2 PHE A 116 1.674 4.581 -0.203 1.00 0.00 H new ATOM 0 HB3 PHE A 116 2.750 3.969 -1.442 1.00 0.00 H new ATOM 0 HD1 PHE A 116 2.586 1.482 -2.052 1.00 0.00 H new ATOM 0 HD2 PHE A 116 -0.380 3.510 0.236 1.00 0.00 H new ATOM 0 HE1 PHE A 116 0.964 -0.283 -2.594 1.00 0.00 H new ATOM 0 HE2 PHE A 116 -2.003 1.748 -0.304 1.00 0.00 H new ATOM 0 HZ PHE A 116 -1.337 -0.149 -1.725 1.00 0.00 H new ATOM 1816 N PHE A 117 4.866 4.959 1.135 1.00 0.00 N ATOM 1817 CA PHE A 117 6.112 5.705 1.009 1.00 0.00 C ATOM 1818 C PHE A 117 7.284 4.906 1.573 1.00 0.00 C ATOM 1819 O PHE A 117 8.412 5.017 1.094 1.00 0.00 O ATOM 1820 CB PHE A 117 6.002 7.049 1.732 1.00 0.00 C ATOM 1821 CG PHE A 117 7.329 7.714 1.966 1.00 0.00 C ATOM 1822 CD1 PHE A 117 8.172 7.273 2.974 1.00 0.00 C ATOM 1823 CD2 PHE A 117 7.732 8.781 1.179 1.00 0.00 C ATOM 1824 CE1 PHE A 117 9.393 7.882 3.191 1.00 0.00 C ATOM 1825 CE2 PHE A 117 8.952 9.394 1.392 1.00 0.00 C ATOM 1826 CZ PHE A 117 9.783 8.945 2.400 1.00 0.00 C ATOM 0 H PHE A 117 4.274 5.255 1.911 1.00 0.00 H new ATOM 0 HA PHE A 117 6.293 5.884 -0.051 1.00 0.00 H new ATOM 0 HB2 PHE A 117 5.368 7.716 1.148 1.00 0.00 H new ATOM 0 HB3 PHE A 117 5.506 6.897 2.691 1.00 0.00 H new ATOM 0 HD1 PHE A 117 7.871 6.444 3.597 1.00 0.00 H new ATOM 0 HD2 PHE A 117 7.086 9.137 0.391 1.00 0.00 H new ATOM 0 HE1 PHE A 117 10.042 7.527 3.978 1.00 0.00 H new ATOM 0 HE2 PHE A 117 9.256 10.224 0.771 1.00 0.00 H new ATOM 0 HZ PHE A 117 10.736 9.424 2.569 1.00 0.00 H new ATOM 1836 N SER A 118 7.006 4.100 2.593 1.00 0.00 N ATOM 1837 CA SER A 118 8.037 3.285 3.225 1.00 0.00 C ATOM 1838 C SER A 118 8.080 1.890 2.610 1.00 0.00 C ATOM 1839 O SER A 118 9.154 1.343 2.355 1.00 0.00 O ATOM 1840 CB SER A 118 7.784 3.183 4.731 1.00 0.00 C ATOM 1841 OG SER A 118 6.421 2.904 5.001 1.00 0.00 O ATOM 0 H SER A 118 6.076 3.994 2.999 1.00 0.00 H new ATOM 0 HA SER A 118 9.000 3.767 3.057 1.00 0.00 H new ATOM 0 HB2 SER A 118 8.410 2.399 5.156 1.00 0.00 H new ATOM 0 HB3 SER A 118 8.070 4.117 5.215 1.00 0.00 H new ATOM 0 HG SER A 118 5.902 3.734 4.953 1.00 0.00 H new ATOM 1847 N LEU A 119 6.904 1.318 2.373 1.00 0.00 N ATOM 1848 CA LEU A 119 6.805 -0.014 1.787 1.00 0.00 C ATOM 1849 C LEU A 119 7.677 -0.127 0.540 1.00 0.00 C ATOM 1850 O LEU A 119 8.577 -0.964 0.473 1.00 0.00 O ATOM 1851 CB LEU A 119 5.351 -0.332 1.436 1.00 0.00 C ATOM 1852 CG LEU A 119 5.134 -1.473 0.441 1.00 0.00 C ATOM 1853 CD1 LEU A 119 5.762 -2.758 0.957 1.00 0.00 C ATOM 1854 CD2 LEU A 119 3.649 -1.673 0.175 1.00 0.00 C ATOM 0 H LEU A 119 6.006 1.756 2.578 1.00 0.00 H new ATOM 0 HA LEU A 119 7.161 -0.735 2.523 1.00 0.00 H new ATOM 0 HB2 LEU A 119 4.821 -0.574 2.357 1.00 0.00 H new ATOM 0 HB3 LEU A 119 4.891 0.569 1.031 1.00 0.00 H new ATOM 0 HG LEU A 119 5.619 -1.207 -0.498 1.00 0.00 H new ATOM 0 HD11 LEU A 119 5.597 -3.559 0.236 1.00 0.00 H new ATOM 0 HD12 LEU A 119 6.833 -2.609 1.096 1.00 0.00 H new ATOM 0 HD13 LEU A 119 5.307 -3.029 1.910 1.00 0.00 H new ATOM 0 HD21 LEU A 119 3.513 -2.489 -0.535 1.00 0.00 H new ATOM 0 HD22 LEU A 119 3.142 -1.916 1.109 1.00 0.00 H new ATOM 0 HD23 LEU A 119 3.227 -0.757 -0.239 1.00 0.00 H new ATOM 1866 N SER A 120 7.405 0.724 -0.445 1.00 0.00 N ATOM 1867 CA SER A 120 8.163 0.719 -1.690 1.00 0.00 C ATOM 1868 C SER A 120 9.659 0.603 -1.415 1.00 0.00 C ATOM 1869 O SER A 120 10.376 -0.113 -2.114 1.00 0.00 O ATOM 1870 CB SER A 120 7.877 1.991 -2.491 1.00 0.00 C ATOM 1871 OG SER A 120 8.584 1.990 -3.719 1.00 0.00 O ATOM 0 H SER A 120 6.665 1.425 -0.404 1.00 0.00 H new ATOM 0 HA SER A 120 7.850 -0.147 -2.273 1.00 0.00 H new ATOM 0 HB2 SER A 120 6.807 2.070 -2.684 1.00 0.00 H new ATOM 0 HB3 SER A 120 8.161 2.865 -1.905 1.00 0.00 H new ATOM 0 HG SER A 120 8.132 1.398 -4.356 1.00 0.00 H new ATOM 1877 N ARG A 121 10.123 1.313 -0.392 1.00 0.00 N ATOM 1878 CA ARG A 121 11.533 1.291 -0.024 1.00 0.00 C ATOM 1879 C ARG A 121 12.035 -0.143 0.123 1.00 0.00 C ATOM 1880 O ARG A 121 13.020 -0.534 -0.503 1.00 0.00 O ATOM 1881 CB ARG A 121 11.754 2.056 1.282 1.00 0.00 C ATOM 1882 CG ARG A 121 11.107 3.432 1.299 1.00 0.00 C ATOM 1883 CD ARG A 121 11.577 4.254 2.488 1.00 0.00 C ATOM 1884 NE ARG A 121 12.907 4.816 2.274 1.00 0.00 N ATOM 1885 CZ ARG A 121 13.149 5.848 1.473 1.00 0.00 C ATOM 1886 NH1 ARG A 121 12.155 6.428 0.815 1.00 0.00 N ATOM 1887 NH2 ARG A 121 14.387 6.303 1.330 1.00 0.00 N ATOM 0 H ARG A 121 9.543 1.911 0.197 1.00 0.00 H new ATOM 0 HA ARG A 121 12.097 1.776 -0.821 1.00 0.00 H new ATOM 0 HB2 ARG A 121 11.358 1.467 2.109 1.00 0.00 H new ATOM 0 HB3 ARG A 121 12.825 2.165 1.452 1.00 0.00 H new ATOM 0 HG2 ARG A 121 11.345 3.958 0.375 1.00 0.00 H new ATOM 0 HG3 ARG A 121 10.023 3.325 1.335 1.00 0.00 H new ATOM 0 HD2 ARG A 121 10.868 5.061 2.673 1.00 0.00 H new ATOM 0 HD3 ARG A 121 11.588 3.628 3.380 1.00 0.00 H new ATOM 0 HE ARG A 121 13.694 4.393 2.766 1.00 0.00 H new ATOM 0 HH11 ARG A 121 11.202 6.082 0.923 1.00 0.00 H new ATOM 0 HH12 ARG A 121 12.344 7.220 0.201 1.00 0.00 H new ATOM 0 HH21 ARG A 121 15.155 5.860 1.835 1.00 0.00 H new ATOM 0 HH22 ARG A 121 14.571 7.095 0.715 1.00 0.00 H new ATOM 1901 N TYR A 122 11.352 -0.920 0.956 1.00 0.00 N ATOM 1902 CA TYR A 122 11.729 -2.309 1.188 1.00 0.00 C ATOM 1903 C TYR A 122 12.147 -2.985 -0.115 1.00 0.00 C ATOM 1904 O TYR A 122 13.207 -3.606 -0.194 1.00 0.00 O ATOM 1905 CB TYR A 122 10.568 -3.076 1.824 1.00 0.00 C ATOM 1906 CG TYR A 122 10.646 -4.572 1.620 1.00 0.00 C ATOM 1907 CD1 TYR A 122 10.257 -5.150 0.418 1.00 0.00 C ATOM 1908 CD2 TYR A 122 11.109 -5.408 2.629 1.00 0.00 C ATOM 1909 CE1 TYR A 122 10.326 -6.516 0.227 1.00 0.00 C ATOM 1910 CE2 TYR A 122 11.182 -6.775 2.446 1.00 0.00 C ATOM 1911 CZ TYR A 122 10.789 -7.325 1.244 1.00 0.00 C ATOM 1912 OH TYR A 122 10.860 -8.686 1.058 1.00 0.00 O ATOM 0 H TYR A 122 10.534 -0.611 1.482 1.00 0.00 H new ATOM 0 HA TYR A 122 12.579 -2.319 1.870 1.00 0.00 H new ATOM 0 HB2 TYR A 122 10.546 -2.864 2.893 1.00 0.00 H new ATOM 0 HB3 TYR A 122 9.630 -2.709 1.407 1.00 0.00 H new ATOM 0 HD1 TYR A 122 9.894 -4.520 -0.381 1.00 0.00 H new ATOM 0 HD2 TYR A 122 11.417 -4.981 3.572 1.00 0.00 H new ATOM 0 HE1 TYR A 122 10.019 -6.949 -0.714 1.00 0.00 H new ATOM 0 HE2 TYR A 122 11.545 -7.410 3.240 1.00 0.00 H new ATOM 0 HH TYR A 122 11.208 -9.109 1.870 1.00 0.00 H new ATOM 1922 N LYS A 123 11.305 -2.860 -1.135 1.00 0.00 N ATOM 1923 CA LYS A 123 11.584 -3.456 -2.436 1.00 0.00 C ATOM 1924 C LYS A 123 12.776 -2.775 -3.101 1.00 0.00 C ATOM 1925 O LYS A 123 13.747 -3.432 -3.476 1.00 0.00 O ATOM 1926 CB LYS A 123 10.355 -3.354 -3.341 1.00 0.00 C ATOM 1927 CG LYS A 123 10.548 -3.997 -4.704 1.00 0.00 C ATOM 1928 CD LYS A 123 10.740 -5.499 -4.589 1.00 0.00 C ATOM 1929 CE LYS A 123 10.218 -6.224 -5.821 1.00 0.00 C ATOM 1930 NZ LYS A 123 10.974 -7.478 -6.088 1.00 0.00 N ATOM 0 H LYS A 123 10.423 -2.351 -1.086 1.00 0.00 H new ATOM 0 HA LYS A 123 11.827 -4.507 -2.282 1.00 0.00 H new ATOM 0 HB2 LYS A 123 9.507 -3.825 -2.843 1.00 0.00 H new ATOM 0 HB3 LYS A 123 10.101 -2.303 -3.477 1.00 0.00 H new ATOM 0 HG2 LYS A 123 9.682 -3.787 -5.332 1.00 0.00 H new ATOM 0 HG3 LYS A 123 11.414 -3.555 -5.196 1.00 0.00 H new ATOM 0 HD2 LYS A 123 11.798 -5.722 -4.455 1.00 0.00 H new ATOM 0 HD3 LYS A 123 10.222 -5.866 -3.703 1.00 0.00 H new ATOM 0 HE2 LYS A 123 9.162 -6.458 -5.684 1.00 0.00 H new ATOM 0 HE3 LYS A 123 10.289 -5.566 -6.687 1.00 0.00 H new ATOM 0 HZ1 LYS A 123 10.588 -7.942 -6.935 1.00 0.00 H new ATOM 0 HZ2 LYS A 123 11.977 -7.252 -6.244 1.00 0.00 H new ATOM 0 HZ3 LYS A 123 10.886 -8.117 -5.272 1.00 0.00 H new ATOM 1944 N GLN A 124 12.695 -1.456 -3.243 1.00 0.00 N ATOM 1945 CA GLN A 124 13.768 -0.687 -3.863 1.00 0.00 C ATOM 1946 C GLN A 124 15.115 -1.024 -3.230 1.00 0.00 C ATOM 1947 O GLN A 124 15.194 -1.311 -2.036 1.00 0.00 O ATOM 1948 CB GLN A 124 13.491 0.812 -3.733 1.00 0.00 C ATOM 1949 CG GLN A 124 12.426 1.318 -4.692 1.00 0.00 C ATOM 1950 CD GLN A 124 12.666 0.872 -6.121 1.00 0.00 C ATOM 1951 OE1 GLN A 124 13.612 1.317 -6.771 1.00 0.00 O ATOM 1952 NE2 GLN A 124 11.809 -0.013 -6.617 1.00 0.00 N ATOM 0 H GLN A 124 11.898 -0.898 -2.937 1.00 0.00 H new ATOM 0 HA GLN A 124 13.807 -0.952 -4.920 1.00 0.00 H new ATOM 0 HB2 GLN A 124 13.180 1.029 -2.711 1.00 0.00 H new ATOM 0 HB3 GLN A 124 14.416 1.361 -3.908 1.00 0.00 H new ATOM 0 HG2 GLN A 124 11.449 0.963 -4.364 1.00 0.00 H new ATOM 0 HG3 GLN A 124 12.398 2.407 -4.655 1.00 0.00 H new ATOM 0 HE21 GLN A 124 11.039 -0.355 -6.042 1.00 0.00 H new ATOM 0 HE22 GLN A 124 11.921 -0.351 -7.573 1.00 0.00 H new