USER MOD reduce.3.24.130724 H: found=0, std=0, add=595, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 596 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 49 GLN : amide:sc= 0.17 K(o=-0.58,f=-6.8!) USER MOD Set 1.2: A 58 MET CE :methyl 155:sc= -0.258 (180deg=-0.881) USER MOD Set 1.3: A 61 CYS SG : rot -173:sc= -0.488 USER MOD Single : A 16 LYS NZ :NH3+ 169:sc= -0.0015 (180deg=-0.0981) USER MOD Single : A 19 TYR OH : rot -146:sc= 0.234 USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 27 SER OG : rot -28:sc= 0.607! USER MOD Single : A 29 ASN : amide:sc= -0.0233 K(o=-0.023,f=-2.5!) USER MOD Single : A 30 MET CE :methyl -112:sc= -2.79 (180deg=-5.54) USER MOD Single : A 31 SER OG : rot 180:sc= 0 USER MOD Single : A 34 LYS NZ :NH3+ 144:sc= 0.269 (180deg=-1.4!) USER MOD Single : A 35 GLN : amide:sc= -0.119 X(o=-0.12,f=-0.14) USER MOD Single : A 36 LYS NZ :NH3+ -174:sc= -2.33 (180deg=-2.4) USER MOD Single : A 37 TYR OH : rot 180:sc= -0.058 USER MOD Single : A 38 GLN : amide:sc= -0.122 K(o=-0.12,f=-1.3!) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 TYR OH : rot 180:sc= 0 USER MOD Single : A 45 HIS : no HD1:sc= -2.15! C(o=-2.1!,f=-5.6!) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 SER OG : rot 180:sc= 0 USER MOD Single : A 57 THR OG1 : rot 180:sc= 0 USER MOD Single : A 62 MET CE :methyl -155:sc= -1.8! (180deg=-3.61!) USER MOD Single : A 63 GLN : amide:sc= -0.132 X(o=-0.13,f=-0.34) USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 70 GLN : amide:sc= -2.86 K(o=-2.9,f=-8.9!) USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 77 ASN : amide:sc= -1.26! C(o=-1.3!,f=-14!) USER MOD Single : A 80 THR OG1 : rot 82:sc= 0.214 USER MOD Single : A 81 LYS NZ :NH3+ -164:sc= 0.00623 (180deg=0) USER MOD Single : A 82 LYS NZ :NH3+ -133:sc= -0.552 (180deg=-2.19!) USER MOD Single : A 83 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 84 TYR OH : rot 73:sc= 0.116 USER MOD Single : A 87 GLN : amide:sc= -0.28 X(o=-0.28,f=-0.22) USER MOD ----------------------------------------------------------------- ATOM 199 N LYS A 16 5.302 4.918 3.361 1.00 0.00 N ATOM 200 CA LYS A 16 4.496 3.747 3.688 1.00 0.00 C ATOM 201 C LYS A 16 5.219 2.851 4.688 1.00 0.00 C ATOM 202 O LYS A 16 6.136 2.114 4.325 1.00 0.00 O ATOM 203 CB LYS A 16 4.172 2.956 2.419 1.00 0.00 C ATOM 204 CG LYS A 16 2.921 3.438 1.704 1.00 0.00 C ATOM 205 CD LYS A 16 1.661 3.019 2.443 1.00 0.00 C ATOM 206 CE LYS A 16 0.410 3.352 1.645 1.00 0.00 C ATOM 207 NZ LYS A 16 0.260 2.469 0.455 1.00 0.00 N ATOM 0 HA LYS A 16 3.567 4.091 4.142 1.00 0.00 H new ATOM 0 HB2 LYS A 16 5.018 3.020 1.735 1.00 0.00 H new ATOM 0 HB3 LYS A 16 4.050 1.904 2.678 1.00 0.00 H new ATOM 0 HG2 LYS A 16 2.947 4.524 1.614 1.00 0.00 H new ATOM 0 HG3 LYS A 16 2.901 3.035 0.691 1.00 0.00 H new ATOM 0 HD2 LYS A 16 1.693 1.948 2.641 1.00 0.00 H new ATOM 0 HD3 LYS A 16 1.621 3.521 3.410 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -0.467 3.251 2.285 1.00 0.00 H new ATOM 0 HE3 LYS A 16 0.451 4.392 1.322 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -0.687 2.597 0.045 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 0.981 2.716 -0.253 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 0.382 1.477 0.742 1.00 0.00 H new ATOM 221 N ASP A 17 4.800 2.918 5.947 1.00 0.00 N ATOM 222 CA ASP A 17 5.406 2.110 6.999 1.00 0.00 C ATOM 223 C ASP A 17 5.134 0.627 6.769 1.00 0.00 C ATOM 224 O ASP A 17 4.166 0.075 7.293 1.00 0.00 O ATOM 225 CB ASP A 17 4.871 2.534 8.368 1.00 0.00 C ATOM 226 CG ASP A 17 4.745 4.039 8.500 1.00 0.00 C ATOM 227 OD1 ASP A 17 3.783 4.605 7.941 1.00 0.00 O ATOM 228 OD2 ASP A 17 5.609 4.650 9.163 1.00 0.00 O ATOM 0 H ASP A 17 4.043 3.524 6.264 1.00 0.00 H new ATOM 0 HA ASP A 17 6.484 2.271 6.973 1.00 0.00 H new ATOM 0 HB2 ASP A 17 3.896 2.075 8.532 1.00 0.00 H new ATOM 0 HB3 ASP A 17 5.535 2.158 9.147 1.00 0.00 H new ATOM 233 N TRP A 18 5.993 -0.012 5.984 1.00 0.00 N ATOM 234 CA TRP A 18 5.844 -1.432 5.684 1.00 0.00 C ATOM 235 C TRP A 18 5.988 -2.273 6.948 1.00 0.00 C ATOM 236 O TRP A 18 5.268 -3.253 7.137 1.00 0.00 O ATOM 237 CB TRP A 18 6.881 -1.866 4.647 1.00 0.00 C ATOM 238 CG TRP A 18 6.994 -0.923 3.488 1.00 0.00 C ATOM 239 CD1 TRP A 18 8.106 -0.233 3.098 1.00 0.00 C ATOM 240 CD2 TRP A 18 5.954 -0.564 2.571 1.00 0.00 C ATOM 241 NE1 TRP A 18 7.821 0.533 1.993 1.00 0.00 N ATOM 242 CE2 TRP A 18 6.508 0.347 1.650 1.00 0.00 C ATOM 243 CE3 TRP A 18 4.611 -0.924 2.437 1.00 0.00 C ATOM 244 CZ2 TRP A 18 5.763 0.901 0.613 1.00 0.00 C ATOM 245 CZ3 TRP A 18 3.873 -0.373 1.407 1.00 0.00 C ATOM 246 CH2 TRP A 18 4.450 0.530 0.505 1.00 0.00 C ATOM 0 H TRP A 18 6.800 0.430 5.543 1.00 0.00 H new ATOM 0 HA TRP A 18 4.845 -1.590 5.277 1.00 0.00 H new ATOM 0 HB2 TRP A 18 7.854 -1.953 5.131 1.00 0.00 H new ATOM 0 HB3 TRP A 18 6.620 -2.857 4.276 1.00 0.00 H new ATOM 0 HD1 TRP A 18 9.068 -0.282 3.586 1.00 0.00 H new ATOM 0 HE1 TRP A 18 8.480 1.141 1.507 1.00 0.00 H new ATOM 0 HE3 TRP A 18 4.157 -1.621 3.126 1.00 0.00 H new ATOM 0 HZ2 TRP A 18 6.206 1.599 -0.082 1.00 0.00 H new ATOM 0 HZ3 TRP A 18 2.833 -0.643 1.295 1.00 0.00 H new ATOM 0 HH2 TRP A 18 3.847 0.941 -0.291 1.00 0.00 H new ATOM 257 N TYR A 19 6.921 -1.883 7.810 1.00 0.00 N ATOM 258 CA TYR A 19 7.160 -2.603 9.055 1.00 0.00 C ATOM 259 C TYR A 19 5.920 -2.581 9.943 1.00 0.00 C ATOM 260 O TYR A 19 5.813 -3.350 10.898 1.00 0.00 O ATOM 261 CB TYR A 19 8.348 -1.993 9.801 1.00 0.00 C ATOM 262 CG TYR A 19 9.684 -2.295 9.162 1.00 0.00 C ATOM 263 CD1 TYR A 19 10.062 -3.602 8.878 1.00 0.00 C ATOM 264 CD2 TYR A 19 10.569 -1.273 8.841 1.00 0.00 C ATOM 265 CE1 TYR A 19 11.282 -3.882 8.295 1.00 0.00 C ATOM 266 CE2 TYR A 19 11.791 -1.544 8.257 1.00 0.00 C ATOM 267 CZ TYR A 19 12.143 -2.849 7.986 1.00 0.00 C ATOM 268 OH TYR A 19 13.360 -3.124 7.404 1.00 0.00 O ATOM 0 H TYR A 19 7.524 -1.072 7.669 1.00 0.00 H new ATOM 0 HA TYR A 19 7.389 -3.640 8.808 1.00 0.00 H new ATOM 0 HB2 TYR A 19 8.216 -0.912 9.855 1.00 0.00 H new ATOM 0 HB3 TYR A 19 8.352 -2.365 10.826 1.00 0.00 H new ATOM 0 HD1 TYR A 19 9.390 -4.413 9.117 1.00 0.00 H new ATOM 0 HD2 TYR A 19 10.297 -0.249 9.052 1.00 0.00 H new ATOM 0 HE1 TYR A 19 11.561 -4.903 8.082 1.00 0.00 H new ATOM 0 HE2 TYR A 19 12.467 -0.738 8.014 1.00 0.00 H new ATOM 0 HH TYR A 19 14.029 -2.484 7.727 1.00 0.00 H new ATOM 278 N SER A 20 4.985 -1.692 9.622 1.00 0.00 N ATOM 279 CA SER A 20 3.754 -1.566 10.392 1.00 0.00 C ATOM 280 C SER A 20 2.609 -2.310 9.711 1.00 0.00 C ATOM 281 O SER A 20 1.800 -2.964 10.371 1.00 0.00 O ATOM 282 CB SER A 20 3.386 -0.091 10.566 1.00 0.00 C ATOM 283 OG SER A 20 2.687 0.120 11.781 1.00 0.00 O ATOM 0 H SER A 20 5.057 -1.049 8.834 1.00 0.00 H new ATOM 0 HA SER A 20 3.921 -2.010 11.373 1.00 0.00 H new ATOM 0 HB2 SER A 20 4.291 0.517 10.553 1.00 0.00 H new ATOM 0 HB3 SER A 20 2.771 0.235 9.727 1.00 0.00 H new ATOM 0 HG SER A 20 2.465 1.070 11.870 1.00 0.00 H new ATOM 289 N ILE A 21 2.547 -2.205 8.388 1.00 0.00 N ATOM 290 CA ILE A 21 1.502 -2.868 7.617 1.00 0.00 C ATOM 291 C ILE A 21 1.595 -4.384 7.757 1.00 0.00 C ATOM 292 O ILE A 21 0.578 -5.077 7.802 1.00 0.00 O ATOM 293 CB ILE A 21 1.581 -2.495 6.125 1.00 0.00 C ATOM 294 CG1 ILE A 21 1.493 -0.978 5.951 1.00 0.00 C ATOM 295 CG2 ILE A 21 0.472 -3.188 5.347 1.00 0.00 C ATOM 296 CD1 ILE A 21 1.980 -0.495 4.602 1.00 0.00 C ATOM 0 H ILE A 21 3.208 -1.667 7.827 1.00 0.00 H new ATOM 0 HA ILE A 21 0.548 -2.526 8.018 1.00 0.00 H new ATOM 0 HB ILE A 21 2.540 -2.832 5.731 1.00 0.00 H new ATOM 0 HG12 ILE A 21 0.458 -0.664 6.088 1.00 0.00 H new ATOM 0 HG13 ILE A 21 2.079 -0.496 6.734 1.00 0.00 H new ATOM 0 HG21 ILE A 21 0.541 -2.915 4.294 1.00 0.00 H new ATOM 0 HG22 ILE A 21 0.576 -4.268 5.449 1.00 0.00 H new ATOM 0 HG23 ILE A 21 -0.496 -2.878 5.740 1.00 0.00 H new ATOM 0 HD11 ILE A 21 1.889 0.590 4.549 1.00 0.00 H new ATOM 0 HD12 ILE A 21 3.024 -0.778 4.469 1.00 0.00 H new ATOM 0 HD13 ILE A 21 1.378 -0.949 3.814 1.00 0.00 H new ATOM 308 N LEU A 22 2.820 -4.892 7.827 1.00 0.00 N ATOM 309 CA LEU A 22 3.047 -6.327 7.963 1.00 0.00 C ATOM 310 C LEU A 22 3.135 -6.726 9.433 1.00 0.00 C ATOM 311 O LEU A 22 3.393 -7.885 9.757 1.00 0.00 O ATOM 312 CB LEU A 22 4.329 -6.732 7.235 1.00 0.00 C ATOM 313 CG LEU A 22 4.370 -6.438 5.735 1.00 0.00 C ATOM 314 CD1 LEU A 22 5.783 -6.607 5.197 1.00 0.00 C ATOM 315 CD2 LEU A 22 3.401 -7.343 4.988 1.00 0.00 C ATOM 0 H LEU A 22 3.672 -4.332 7.792 1.00 0.00 H new ATOM 0 HA LEU A 22 2.202 -6.848 7.513 1.00 0.00 H new ATOM 0 HB2 LEU A 22 5.168 -6.222 7.708 1.00 0.00 H new ATOM 0 HB3 LEU A 22 4.483 -7.801 7.380 1.00 0.00 H new ATOM 0 HG LEU A 22 4.064 -5.404 5.578 1.00 0.00 H new ATOM 0 HD11 LEU A 22 5.793 -6.394 4.128 1.00 0.00 H new ATOM 0 HD12 LEU A 22 6.453 -5.918 5.711 1.00 0.00 H new ATOM 0 HD13 LEU A 22 6.117 -7.631 5.366 1.00 0.00 H new ATOM 0 HD21 LEU A 22 3.443 -7.120 3.922 1.00 0.00 H new ATOM 0 HD22 LEU A 22 3.676 -8.385 5.152 1.00 0.00 H new ATOM 0 HD23 LEU A 22 2.389 -7.173 5.354 1.00 0.00 H new ATOM 327 N GLY A 23 2.917 -5.759 10.318 1.00 0.00 N ATOM 328 CA GLY A 23 2.974 -6.030 11.743 1.00 0.00 C ATOM 329 C GLY A 23 4.300 -6.630 12.166 1.00 0.00 C ATOM 330 O GLY A 23 4.342 -7.536 12.998 1.00 0.00 O ATOM 0 H GLY A 23 2.702 -4.792 10.074 1.00 0.00 H new ATOM 0 HA2 GLY A 23 2.806 -5.104 12.293 1.00 0.00 H new ATOM 0 HA3 GLY A 23 2.168 -6.712 12.013 1.00 0.00 H new ATOM 334 N ALA A 24 5.386 -6.126 11.590 1.00 0.00 N ATOM 335 CA ALA A 24 6.720 -6.617 11.913 1.00 0.00 C ATOM 336 C ALA A 24 7.602 -5.498 12.456 1.00 0.00 C ATOM 337 O ALA A 24 7.154 -4.361 12.608 1.00 0.00 O ATOM 338 CB ALA A 24 7.361 -7.249 10.686 1.00 0.00 C ATOM 0 H ALA A 24 5.368 -5.378 10.897 1.00 0.00 H new ATOM 0 HA ALA A 24 6.622 -7.375 12.690 1.00 0.00 H new ATOM 0 HB1 ALA A 24 8.357 -7.611 10.942 1.00 0.00 H new ATOM 0 HB2 ALA A 24 6.748 -8.083 10.344 1.00 0.00 H new ATOM 0 HB3 ALA A 24 7.438 -6.506 9.892 1.00 0.00 H new ATOM 344 N ASP A 25 8.856 -5.827 12.746 1.00 0.00 N ATOM 345 CA ASP A 25 9.800 -4.848 13.272 1.00 0.00 C ATOM 346 C ASP A 25 10.867 -4.510 12.234 1.00 0.00 C ATOM 347 O ASP A 25 11.188 -5.310 11.355 1.00 0.00 O ATOM 348 CB ASP A 25 10.461 -5.378 14.546 1.00 0.00 C ATOM 349 CG ASP A 25 10.660 -6.881 14.512 1.00 0.00 C ATOM 350 OD1 ASP A 25 9.677 -7.615 14.742 1.00 0.00 O ATOM 351 OD2 ASP A 25 11.800 -7.322 14.254 1.00 0.00 O ATOM 0 H ASP A 25 9.242 -6.763 12.626 1.00 0.00 H new ATOM 0 HA ASP A 25 9.248 -3.939 13.510 1.00 0.00 H new ATOM 0 HB2 ASP A 25 11.426 -4.890 14.682 1.00 0.00 H new ATOM 0 HB3 ASP A 25 9.847 -5.115 15.407 1.00 0.00 H new ATOM 356 N PRO A 26 11.428 -3.296 12.336 1.00 0.00 N ATOM 357 CA PRO A 26 12.466 -2.825 11.414 1.00 0.00 C ATOM 358 C PRO A 26 13.788 -3.560 11.605 1.00 0.00 C ATOM 359 O PRO A 26 14.707 -3.424 10.797 1.00 0.00 O ATOM 360 CB PRO A 26 12.619 -1.346 11.779 1.00 0.00 C ATOM 361 CG PRO A 26 12.175 -1.258 13.199 1.00 0.00 C ATOM 362 CD PRO A 26 11.094 -2.291 13.359 1.00 0.00 C ATOM 0 HA PRO A 26 12.194 -2.996 10.372 1.00 0.00 H new ATOM 0 HB2 PRO A 26 13.651 -1.015 11.666 1.00 0.00 H new ATOM 0 HB3 PRO A 26 12.009 -0.714 11.134 1.00 0.00 H new ATOM 0 HG2 PRO A 26 13.004 -1.452 13.880 1.00 0.00 H new ATOM 0 HG3 PRO A 26 11.799 -0.261 13.430 1.00 0.00 H new ATOM 0 HD2 PRO A 26 11.095 -2.721 14.360 1.00 0.00 H new ATOM 0 HD3 PRO A 26 10.104 -1.865 13.196 1.00 0.00 H new ATOM 370 N SER A 27 13.877 -4.340 12.677 1.00 0.00 N ATOM 371 CA SER A 27 15.089 -5.095 12.975 1.00 0.00 C ATOM 372 C SER A 27 14.947 -6.547 12.530 1.00 0.00 C ATOM 373 O SER A 27 15.904 -7.320 12.582 1.00 0.00 O ATOM 374 CB SER A 27 15.396 -5.037 14.473 1.00 0.00 C ATOM 375 OG SER A 27 16.495 -5.868 14.801 1.00 0.00 O ATOM 0 H SER A 27 13.125 -4.466 13.354 1.00 0.00 H new ATOM 0 HA SER A 27 15.914 -4.643 12.424 1.00 0.00 H new ATOM 0 HB2 SER A 27 15.614 -4.009 14.763 1.00 0.00 H new ATOM 0 HB3 SER A 27 14.519 -5.349 15.040 1.00 0.00 H new ATOM 0 HG SER A 27 16.550 -6.607 14.159 1.00 0.00 H new ATOM 381 N ALA A 28 13.747 -6.911 12.091 1.00 0.00 N ATOM 382 CA ALA A 28 13.479 -8.269 11.634 1.00 0.00 C ATOM 383 C ALA A 28 14.232 -8.572 10.343 1.00 0.00 C ATOM 384 O ALA A 28 14.886 -7.698 9.775 1.00 0.00 O ATOM 385 CB ALA A 28 11.985 -8.475 11.436 1.00 0.00 C ATOM 0 H ALA A 28 12.944 -6.284 12.042 1.00 0.00 H new ATOM 0 HA ALA A 28 13.831 -8.959 12.400 1.00 0.00 H new ATOM 0 HB1 ALA A 28 11.800 -9.494 11.095 1.00 0.00 H new ATOM 0 HB2 ALA A 28 11.467 -8.309 12.380 1.00 0.00 H new ATOM 0 HB3 ALA A 28 11.616 -7.770 10.691 1.00 0.00 H new ATOM 391 N ASN A 29 14.135 -9.816 9.885 1.00 0.00 N ATOM 392 CA ASN A 29 14.809 -10.234 8.661 1.00 0.00 C ATOM 393 C ASN A 29 13.826 -10.894 7.698 1.00 0.00 C ATOM 394 O ASN A 29 12.664 -11.115 8.036 1.00 0.00 O ATOM 395 CB ASN A 29 15.949 -11.202 8.987 1.00 0.00 C ATOM 396 CG ASN A 29 15.616 -12.116 10.150 1.00 0.00 C ATOM 397 OD1 ASN A 29 14.698 -12.932 10.070 1.00 0.00 O ATOM 398 ND2 ASN A 29 16.365 -11.983 11.239 1.00 0.00 N ATOM 0 H ASN A 29 13.597 -10.552 10.343 1.00 0.00 H new ATOM 0 HA ASN A 29 15.221 -9.347 8.181 1.00 0.00 H new ATOM 0 HB2 ASN A 29 16.173 -11.805 8.107 1.00 0.00 H new ATOM 0 HB3 ASN A 29 16.849 -10.634 9.221 1.00 0.00 H new ATOM 0 HD21 ASN A 29 16.189 -12.571 12.054 1.00 0.00 H new ATOM 0 HD22 ASN A 29 17.116 -11.293 11.260 1.00 0.00 H new ATOM 405 N MET A 30 14.303 -11.206 6.497 1.00 0.00 N ATOM 406 CA MET A 30 13.467 -11.842 5.486 1.00 0.00 C ATOM 407 C MET A 30 12.690 -13.012 6.080 1.00 0.00 C ATOM 408 O MET A 30 11.484 -13.141 5.867 1.00 0.00 O ATOM 409 CB MET A 30 14.325 -12.327 4.315 1.00 0.00 C ATOM 410 CG MET A 30 14.496 -11.290 3.217 1.00 0.00 C ATOM 411 SD MET A 30 14.997 -9.679 3.854 1.00 0.00 S ATOM 412 CE MET A 30 13.505 -8.728 3.582 1.00 0.00 C ATOM 0 H MET A 30 15.263 -11.029 6.201 1.00 0.00 H new ATOM 0 HA MET A 30 12.754 -11.102 5.123 1.00 0.00 H new ATOM 0 HB2 MET A 30 15.308 -12.613 4.689 1.00 0.00 H new ATOM 0 HB3 MET A 30 13.872 -13.223 3.890 1.00 0.00 H new ATOM 0 HG2 MET A 30 15.241 -11.642 2.503 1.00 0.00 H new ATOM 0 HG3 MET A 30 13.558 -11.185 2.672 1.00 0.00 H new ATOM 0 HE1 MET A 30 13.686 -7.979 2.811 1.00 0.00 H new ATOM 0 HE2 MET A 30 12.703 -9.393 3.261 1.00 0.00 H new ATOM 0 HE3 MET A 30 13.216 -8.232 4.508 1.00 0.00 H new ATOM 422 N SER A 31 13.388 -13.863 6.825 1.00 0.00 N ATOM 423 CA SER A 31 12.764 -15.025 7.446 1.00 0.00 C ATOM 424 C SER A 31 11.530 -14.617 8.246 1.00 0.00 C ATOM 425 O SER A 31 10.419 -15.070 7.970 1.00 0.00 O ATOM 426 CB SER A 31 13.762 -15.741 8.358 1.00 0.00 C ATOM 427 OG SER A 31 14.548 -16.666 7.627 1.00 0.00 O ATOM 0 H SER A 31 14.386 -13.769 7.013 1.00 0.00 H new ATOM 0 HA SER A 31 12.454 -15.706 6.653 1.00 0.00 H new ATOM 0 HB2 SER A 31 14.410 -15.008 8.839 1.00 0.00 H new ATOM 0 HB3 SER A 31 13.226 -16.262 9.151 1.00 0.00 H new ATOM 0 HG SER A 31 15.179 -17.109 8.232 1.00 0.00 H new ATOM 433 N ASP A 32 11.734 -13.757 9.238 1.00 0.00 N ATOM 434 CA ASP A 32 10.640 -13.286 10.079 1.00 0.00 C ATOM 435 C ASP A 32 9.597 -12.545 9.247 1.00 0.00 C ATOM 436 O ASP A 32 8.468 -13.010 9.090 1.00 0.00 O ATOM 437 CB ASP A 32 11.174 -12.372 11.183 1.00 0.00 C ATOM 438 CG ASP A 32 10.320 -12.417 12.435 1.00 0.00 C ATOM 439 OD1 ASP A 32 9.635 -13.439 12.650 1.00 0.00 O ATOM 440 OD2 ASP A 32 10.338 -11.430 13.200 1.00 0.00 O ATOM 0 H ASP A 32 12.647 -13.372 9.479 1.00 0.00 H new ATOM 0 HA ASP A 32 10.165 -14.154 10.536 1.00 0.00 H new ATOM 0 HB2 ASP A 32 12.194 -12.665 11.432 1.00 0.00 H new ATOM 0 HB3 ASP A 32 11.218 -11.348 10.813 1.00 0.00 H new ATOM 445 N LEU A 33 9.982 -11.388 8.719 1.00 0.00 N ATOM 446 CA LEU A 33 9.081 -10.581 7.904 1.00 0.00 C ATOM 447 C LEU A 33 8.239 -11.463 6.988 1.00 0.00 C ATOM 448 O LEU A 33 7.029 -11.269 6.861 1.00 0.00 O ATOM 449 CB LEU A 33 9.877 -9.574 7.072 1.00 0.00 C ATOM 450 CG LEU A 33 10.806 -8.644 7.852 1.00 0.00 C ATOM 451 CD1 LEU A 33 11.935 -8.148 6.963 1.00 0.00 C ATOM 452 CD2 LEU A 33 10.024 -7.472 8.429 1.00 0.00 C ATOM 0 H LEU A 33 10.912 -10.988 8.841 1.00 0.00 H new ATOM 0 HA LEU A 33 8.412 -10.040 8.573 1.00 0.00 H new ATOM 0 HB2 LEU A 33 10.474 -10.125 6.345 1.00 0.00 H new ATOM 0 HB3 LEU A 33 9.173 -8.962 6.508 1.00 0.00 H new ATOM 0 HG LEU A 33 11.243 -9.206 8.678 1.00 0.00 H new ATOM 0 HD11 LEU A 33 12.586 -7.487 7.536 1.00 0.00 H new ATOM 0 HD12 LEU A 33 12.511 -8.998 6.598 1.00 0.00 H new ATOM 0 HD13 LEU A 33 11.518 -7.602 6.116 1.00 0.00 H new ATOM 0 HD21 LEU A 33 10.701 -6.820 8.981 1.00 0.00 H new ATOM 0 HD22 LEU A 33 9.559 -6.910 7.619 1.00 0.00 H new ATOM 0 HD23 LEU A 33 9.251 -7.846 9.101 1.00 0.00 H new ATOM 464 N LYS A 34 8.885 -12.434 6.352 1.00 0.00 N ATOM 465 CA LYS A 34 8.196 -13.349 5.450 1.00 0.00 C ATOM 466 C LYS A 34 7.014 -14.014 6.147 1.00 0.00 C ATOM 467 O LYS A 34 5.902 -14.030 5.622 1.00 0.00 O ATOM 468 CB LYS A 34 9.165 -14.417 4.936 1.00 0.00 C ATOM 469 CG LYS A 34 8.525 -15.410 3.981 1.00 0.00 C ATOM 470 CD LYS A 34 9.572 -16.234 3.250 1.00 0.00 C ATOM 471 CE LYS A 34 10.050 -15.535 1.987 1.00 0.00 C ATOM 472 NZ LYS A 34 11.212 -14.643 2.253 1.00 0.00 N ATOM 0 H LYS A 34 9.886 -12.608 6.445 1.00 0.00 H new ATOM 0 HA LYS A 34 7.819 -12.772 4.606 1.00 0.00 H new ATOM 0 HB2 LYS A 34 9.999 -13.927 4.433 1.00 0.00 H new ATOM 0 HB3 LYS A 34 9.580 -14.959 5.786 1.00 0.00 H new ATOM 0 HG2 LYS A 34 7.861 -16.073 4.535 1.00 0.00 H new ATOM 0 HG3 LYS A 34 7.910 -14.875 3.257 1.00 0.00 H new ATOM 0 HD2 LYS A 34 10.420 -16.415 3.910 1.00 0.00 H new ATOM 0 HD3 LYS A 34 9.155 -17.208 2.993 1.00 0.00 H new ATOM 0 HE2 LYS A 34 10.328 -16.281 1.242 1.00 0.00 H new ATOM 0 HE3 LYS A 34 9.233 -14.951 1.564 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 11.863 -14.670 1.443 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 10.877 -13.669 2.395 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 11.709 -14.966 3.107 1.00 0.00 H new ATOM 486 N GLN A 35 7.263 -14.561 7.333 1.00 0.00 N ATOM 487 CA GLN A 35 6.218 -15.226 8.102 1.00 0.00 C ATOM 488 C GLN A 35 5.045 -14.285 8.354 1.00 0.00 C ATOM 489 O GLN A 35 3.886 -14.654 8.162 1.00 0.00 O ATOM 490 CB GLN A 35 6.778 -15.730 9.433 1.00 0.00 C ATOM 491 CG GLN A 35 7.913 -16.729 9.277 1.00 0.00 C ATOM 492 CD GLN A 35 7.550 -17.888 8.369 1.00 0.00 C ATOM 493 OE1 GLN A 35 7.800 -17.849 7.164 1.00 0.00 O ATOM 494 NE2 GLN A 35 6.956 -18.927 8.944 1.00 0.00 N ATOM 0 H GLN A 35 8.179 -14.557 7.782 1.00 0.00 H new ATOM 0 HA GLN A 35 5.860 -16.076 7.521 1.00 0.00 H new ATOM 0 HB2 GLN A 35 7.132 -14.879 10.014 1.00 0.00 H new ATOM 0 HB3 GLN A 35 5.973 -16.193 10.004 1.00 0.00 H new ATOM 0 HG2 GLN A 35 8.789 -16.219 8.876 1.00 0.00 H new ATOM 0 HG3 GLN A 35 8.190 -17.114 10.258 1.00 0.00 H new ATOM 0 HE21 GLN A 35 6.768 -18.916 9.946 1.00 0.00 H new ATOM 0 HE22 GLN A 35 6.688 -19.736 8.383 1.00 0.00 H new ATOM 503 N LYS A 36 5.352 -13.066 8.785 1.00 0.00 N ATOM 504 CA LYS A 36 4.324 -12.071 9.063 1.00 0.00 C ATOM 505 C LYS A 36 3.567 -11.701 7.792 1.00 0.00 C ATOM 506 O LYS A 36 2.360 -11.462 7.825 1.00 0.00 O ATOM 507 CB LYS A 36 4.952 -10.817 9.678 1.00 0.00 C ATOM 508 CG LYS A 36 5.285 -10.965 11.153 1.00 0.00 C ATOM 509 CD LYS A 36 6.705 -11.465 11.356 1.00 0.00 C ATOM 510 CE LYS A 36 7.682 -10.312 11.533 1.00 0.00 C ATOM 511 NZ LYS A 36 7.433 -9.563 12.795 1.00 0.00 N ATOM 0 H LYS A 36 6.306 -12.744 8.949 1.00 0.00 H new ATOM 0 HA LYS A 36 3.618 -12.503 9.773 1.00 0.00 H new ATOM 0 HB2 LYS A 36 5.862 -10.571 9.131 1.00 0.00 H new ATOM 0 HB3 LYS A 36 4.268 -9.978 9.551 1.00 0.00 H new ATOM 0 HG2 LYS A 36 5.161 -10.004 11.653 1.00 0.00 H new ATOM 0 HG3 LYS A 36 4.584 -11.659 11.617 1.00 0.00 H new ATOM 0 HD2 LYS A 36 6.742 -12.113 12.232 1.00 0.00 H new ATOM 0 HD3 LYS A 36 7.005 -12.069 10.500 1.00 0.00 H new ATOM 0 HE2 LYS A 36 8.702 -10.697 11.534 1.00 0.00 H new ATOM 0 HE3 LYS A 36 7.599 -9.632 10.685 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 8.050 -8.727 12.830 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 6.438 -9.261 12.829 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 7.636 -10.177 13.609 1.00 0.00 H new ATOM 525 N TYR A 37 4.283 -11.658 6.674 1.00 0.00 N ATOM 526 CA TYR A 37 3.678 -11.317 5.392 1.00 0.00 C ATOM 527 C TYR A 37 2.708 -12.404 4.941 1.00 0.00 C ATOM 528 O TYR A 37 1.533 -12.137 4.690 1.00 0.00 O ATOM 529 CB TYR A 37 4.761 -11.112 4.331 1.00 0.00 C ATOM 530 CG TYR A 37 4.236 -11.149 2.914 1.00 0.00 C ATOM 531 CD1 TYR A 37 3.564 -10.059 2.373 1.00 0.00 C ATOM 532 CD2 TYR A 37 4.409 -12.274 2.117 1.00 0.00 C ATOM 533 CE1 TYR A 37 3.082 -10.089 1.078 1.00 0.00 C ATOM 534 CE2 TYR A 37 3.932 -12.311 0.821 1.00 0.00 C ATOM 535 CZ TYR A 37 3.268 -11.217 0.307 1.00 0.00 C ATOM 536 OH TYR A 37 2.790 -11.251 -0.983 1.00 0.00 O ATOM 0 H TYR A 37 5.283 -11.855 6.630 1.00 0.00 H new ATOM 0 HA TYR A 37 3.122 -10.388 5.518 1.00 0.00 H new ATOM 0 HB2 TYR A 37 5.250 -10.153 4.503 1.00 0.00 H new ATOM 0 HB3 TYR A 37 5.522 -11.883 4.448 1.00 0.00 H new ATOM 0 HD1 TYR A 37 3.416 -9.174 2.974 1.00 0.00 H new ATOM 0 HD2 TYR A 37 4.925 -13.134 2.517 1.00 0.00 H new ATOM 0 HE1 TYR A 37 2.562 -9.234 0.672 1.00 0.00 H new ATOM 0 HE2 TYR A 37 4.078 -13.192 0.214 1.00 0.00 H new ATOM 0 HH TYR A 37 3.005 -12.117 -1.389 1.00 0.00 H new ATOM 546 N GLN A 38 3.209 -13.631 4.840 1.00 0.00 N ATOM 547 CA GLN A 38 2.388 -14.759 4.419 1.00 0.00 C ATOM 548 C GLN A 38 1.087 -14.812 5.214 1.00 0.00 C ATOM 549 O GLN A 38 -0.003 -14.828 4.642 1.00 0.00 O ATOM 550 CB GLN A 38 3.158 -16.070 4.590 1.00 0.00 C ATOM 551 CG GLN A 38 4.255 -16.270 3.558 1.00 0.00 C ATOM 552 CD GLN A 38 4.517 -17.733 3.260 1.00 0.00 C ATOM 553 OE1 GLN A 38 3.601 -18.556 3.279 1.00 0.00 O ATOM 554 NE2 GLN A 38 5.773 -18.066 2.984 1.00 0.00 N ATOM 0 H GLN A 38 4.180 -13.869 5.044 1.00 0.00 H new ATOM 0 HA GLN A 38 2.144 -14.625 3.365 1.00 0.00 H new ATOM 0 HB2 GLN A 38 3.599 -16.095 5.586 1.00 0.00 H new ATOM 0 HB3 GLN A 38 2.458 -16.903 4.530 1.00 0.00 H new ATOM 0 HG2 GLN A 38 3.978 -15.759 2.636 1.00 0.00 H new ATOM 0 HG3 GLN A 38 5.174 -15.806 3.916 1.00 0.00 H new ATOM 0 HE21 GLN A 38 6.501 -17.351 2.979 1.00 0.00 H new ATOM 0 HE22 GLN A 38 6.010 -19.036 2.777 1.00 0.00 H new ATOM 563 N LYS A 39 1.209 -14.841 6.537 1.00 0.00 N ATOM 564 CA LYS A 39 0.044 -14.892 7.412 1.00 0.00 C ATOM 565 C LYS A 39 -0.872 -13.696 7.169 1.00 0.00 C ATOM 566 O LYS A 39 -2.063 -13.740 7.481 1.00 0.00 O ATOM 567 CB LYS A 39 0.483 -14.921 8.878 1.00 0.00 C ATOM 568 CG LYS A 39 1.004 -13.587 9.384 1.00 0.00 C ATOM 569 CD LYS A 39 1.085 -13.560 10.901 1.00 0.00 C ATOM 570 CE LYS A 39 -0.217 -13.071 11.519 1.00 0.00 C ATOM 571 NZ LYS A 39 -0.302 -13.406 12.968 1.00 0.00 N ATOM 0 H LYS A 39 2.104 -14.830 7.027 1.00 0.00 H new ATOM 0 HA LYS A 39 -0.509 -15.803 7.186 1.00 0.00 H new ATOM 0 HB2 LYS A 39 -0.361 -15.230 9.495 1.00 0.00 H new ATOM 0 HB3 LYS A 39 1.260 -15.675 9.001 1.00 0.00 H new ATOM 0 HG2 LYS A 39 1.991 -13.397 8.962 1.00 0.00 H new ATOM 0 HG3 LYS A 39 0.351 -12.786 9.039 1.00 0.00 H new ATOM 0 HD2 LYS A 39 1.313 -14.559 11.272 1.00 0.00 H new ATOM 0 HD3 LYS A 39 1.903 -12.910 11.211 1.00 0.00 H new ATOM 0 HE2 LYS A 39 -0.298 -11.992 11.390 1.00 0.00 H new ATOM 0 HE3 LYS A 39 -1.060 -13.519 10.992 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 -1.203 -13.057 13.353 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 -0.251 -14.438 13.089 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 0.488 -12.958 13.475 1.00 0.00 H new ATOM 585 N LEU A 40 -0.310 -12.631 6.609 1.00 0.00 N ATOM 586 CA LEU A 40 -1.076 -11.423 6.322 1.00 0.00 C ATOM 587 C LEU A 40 -1.442 -11.349 4.843 1.00 0.00 C ATOM 588 O LEU A 40 -1.746 -10.276 4.321 1.00 0.00 O ATOM 589 CB LEU A 40 -0.279 -10.181 6.724 1.00 0.00 C ATOM 590 CG LEU A 40 -0.071 -9.975 8.225 1.00 0.00 C ATOM 591 CD1 LEU A 40 0.825 -8.772 8.478 1.00 0.00 C ATOM 592 CD2 LEU A 40 -1.408 -9.804 8.930 1.00 0.00 C ATOM 0 H LEU A 40 0.674 -12.579 6.344 1.00 0.00 H new ATOM 0 HA LEU A 40 -1.997 -11.460 6.904 1.00 0.00 H new ATOM 0 HB2 LEU A 40 0.699 -10.230 6.245 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -0.786 -9.303 6.324 1.00 0.00 H new ATOM 0 HG LEU A 40 0.420 -10.860 8.630 1.00 0.00 H new ATOM 0 HD11 LEU A 40 0.962 -8.640 9.551 1.00 0.00 H new ATOM 0 HD12 LEU A 40 1.794 -8.934 8.005 1.00 0.00 H new ATOM 0 HD13 LEU A 40 0.362 -7.879 8.059 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -1.241 -9.659 9.997 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -1.926 -8.936 8.522 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -2.017 -10.695 8.776 1.00 0.00 H new ATOM 604 N ILE A 41 -1.414 -12.497 4.173 1.00 0.00 N ATOM 605 CA ILE A 41 -1.746 -12.562 2.756 1.00 0.00 C ATOM 606 C ILE A 41 -3.058 -13.306 2.532 1.00 0.00 C ATOM 607 O ILE A 41 -3.831 -12.967 1.635 1.00 0.00 O ATOM 608 CB ILE A 41 -0.632 -13.255 1.948 1.00 0.00 C ATOM 609 CG1 ILE A 41 0.537 -12.295 1.722 1.00 0.00 C ATOM 610 CG2 ILE A 41 -1.176 -13.758 0.619 1.00 0.00 C ATOM 611 CD1 ILE A 41 0.246 -11.219 0.700 1.00 0.00 C ATOM 0 H ILE A 41 -1.165 -13.394 4.590 1.00 0.00 H new ATOM 0 HA ILE A 41 -1.850 -11.534 2.409 1.00 0.00 H new ATOM 0 HB ILE A 41 -0.270 -14.111 2.517 1.00 0.00 H new ATOM 0 HG12 ILE A 41 0.798 -11.824 2.670 1.00 0.00 H new ATOM 0 HG13 ILE A 41 1.408 -12.865 1.399 1.00 0.00 H new ATOM 0 HG21 ILE A 41 -0.377 -14.245 0.060 1.00 0.00 H new ATOM 0 HG22 ILE A 41 -1.979 -14.472 0.801 1.00 0.00 H new ATOM 0 HG23 ILE A 41 -1.562 -12.917 0.042 1.00 0.00 H new ATOM 0 HD11 ILE A 41 1.119 -10.575 0.591 1.00 0.00 H new ATOM 0 HD12 ILE A 41 0.014 -11.682 -0.259 1.00 0.00 H new ATOM 0 HD13 ILE A 41 -0.605 -10.624 1.031 1.00 0.00 H new ATOM 623 N LEU A 42 -3.305 -14.320 3.355 1.00 0.00 N ATOM 624 CA LEU A 42 -4.526 -15.111 3.249 1.00 0.00 C ATOM 625 C LEU A 42 -5.620 -14.546 4.148 1.00 0.00 C ATOM 626 O LEU A 42 -6.763 -15.006 4.117 1.00 0.00 O ATOM 627 CB LEU A 42 -4.246 -16.568 3.620 1.00 0.00 C ATOM 628 CG LEU A 42 -3.204 -16.794 4.716 1.00 0.00 C ATOM 629 CD1 LEU A 42 -3.651 -16.147 6.018 1.00 0.00 C ATOM 630 CD2 LEU A 42 -2.953 -18.281 4.916 1.00 0.00 C ATOM 0 H LEU A 42 -2.676 -14.613 4.103 1.00 0.00 H new ATOM 0 HA LEU A 42 -4.871 -15.066 2.216 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -5.182 -17.028 3.937 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -3.920 -17.094 2.723 1.00 0.00 H new ATOM 0 HG LEU A 42 -2.270 -16.328 4.404 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -2.897 -16.318 6.787 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -3.778 -15.075 5.867 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -4.598 -16.584 6.335 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -2.209 -18.422 5.700 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -3.882 -18.771 5.206 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -2.588 -18.717 3.986 1.00 0.00 H new ATOM 642 N LEU A 43 -5.265 -13.547 4.948 1.00 0.00 N ATOM 643 CA LEU A 43 -6.217 -12.917 5.855 1.00 0.00 C ATOM 644 C LEU A 43 -7.008 -11.824 5.142 1.00 0.00 C ATOM 645 O LEU A 43 -8.103 -11.458 5.568 1.00 0.00 O ATOM 646 CB LEU A 43 -5.488 -12.328 7.064 1.00 0.00 C ATOM 647 CG LEU A 43 -5.114 -13.317 8.169 1.00 0.00 C ATOM 648 CD1 LEU A 43 -4.023 -12.737 9.057 1.00 0.00 C ATOM 649 CD2 LEU A 43 -6.338 -13.682 8.995 1.00 0.00 C ATOM 0 H LEU A 43 -4.324 -13.156 4.987 1.00 0.00 H new ATOM 0 HA LEU A 43 -6.915 -13.681 6.196 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -4.576 -11.844 6.713 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -6.116 -11.549 7.498 1.00 0.00 H new ATOM 0 HG LEU A 43 -4.731 -14.225 7.703 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -3.770 -13.454 9.838 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -3.138 -12.527 8.456 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -4.379 -11.814 9.514 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -6.053 -14.386 9.776 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -6.751 -12.782 9.451 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -7.089 -14.139 8.351 1.00 0.00 H new ATOM 661 N TYR A 44 -6.446 -11.309 4.054 1.00 0.00 N ATOM 662 CA TYR A 44 -7.098 -10.258 3.282 1.00 0.00 C ATOM 663 C TYR A 44 -7.246 -10.669 1.820 1.00 0.00 C ATOM 664 O TYR A 44 -7.731 -9.897 0.992 1.00 0.00 O ATOM 665 CB TYR A 44 -6.302 -8.956 3.379 1.00 0.00 C ATOM 666 CG TYR A 44 -6.092 -8.479 4.799 1.00 0.00 C ATOM 667 CD1 TYR A 44 -4.988 -8.890 5.535 1.00 0.00 C ATOM 668 CD2 TYR A 44 -6.998 -7.616 5.403 1.00 0.00 C ATOM 669 CE1 TYR A 44 -4.793 -8.458 6.832 1.00 0.00 C ATOM 670 CE2 TYR A 44 -6.810 -7.177 6.700 1.00 0.00 C ATOM 671 CZ TYR A 44 -5.707 -7.601 7.410 1.00 0.00 C ATOM 672 OH TYR A 44 -5.515 -7.167 8.702 1.00 0.00 O ATOM 0 H TYR A 44 -5.541 -11.602 3.687 1.00 0.00 H new ATOM 0 HA TYR A 44 -8.092 -10.100 3.699 1.00 0.00 H new ATOM 0 HB2 TYR A 44 -5.331 -9.097 2.905 1.00 0.00 H new ATOM 0 HB3 TYR A 44 -6.821 -8.180 2.817 1.00 0.00 H new ATOM 0 HD1 TYR A 44 -4.270 -9.559 5.085 1.00 0.00 H new ATOM 0 HD2 TYR A 44 -7.864 -7.283 4.850 1.00 0.00 H new ATOM 0 HE1 TYR A 44 -3.930 -8.789 7.391 1.00 0.00 H new ATOM 0 HE2 TYR A 44 -7.523 -6.506 7.155 1.00 0.00 H new ATOM 0 HH TYR A 44 -6.247 -6.569 8.958 1.00 0.00 H new ATOM 682 N HIS A 45 -6.825 -11.891 1.510 1.00 0.00 N ATOM 683 CA HIS A 45 -6.912 -12.407 0.148 1.00 0.00 C ATOM 684 C HIS A 45 -8.342 -12.320 -0.376 1.00 0.00 C ATOM 685 O HIS A 45 -9.309 -12.575 0.343 1.00 0.00 O ATOM 686 CB HIS A 45 -6.424 -13.855 0.097 1.00 0.00 C ATOM 687 CG HIS A 45 -5.927 -14.272 -1.253 1.00 0.00 C ATOM 688 ND1 HIS A 45 -6.727 -14.885 -2.193 1.00 0.00 N ATOM 689 CD2 HIS A 45 -4.703 -14.159 -1.819 1.00 0.00 C ATOM 690 CE1 HIS A 45 -6.016 -15.133 -3.279 1.00 0.00 C ATOM 691 NE2 HIS A 45 -4.784 -14.702 -3.078 1.00 0.00 N ATOM 0 H HIS A 45 -6.420 -12.542 2.183 1.00 0.00 H new ATOM 0 HA HIS A 45 -6.274 -11.794 -0.488 1.00 0.00 H new ATOM 0 HB2 HIS A 45 -5.624 -13.986 0.826 1.00 0.00 H new ATOM 0 HB3 HIS A 45 -7.239 -14.515 0.395 1.00 0.00 H new ATOM 0 HD2 HIS A 45 -3.825 -13.723 -1.365 1.00 0.00 H new ATOM 0 HE1 HIS A 45 -6.381 -15.608 -4.178 1.00 0.00 H new ATOM 0 HE2 HIS A 45 -4.018 -14.762 -3.748 1.00 0.00 H new ATOM 700 N PRO A 46 -8.482 -11.951 -1.658 1.00 0.00 N ATOM 701 CA PRO A 46 -9.790 -11.823 -2.306 1.00 0.00 C ATOM 702 C PRO A 46 -10.468 -13.172 -2.518 1.00 0.00 C ATOM 703 O PRO A 46 -11.679 -13.305 -2.338 1.00 0.00 O ATOM 704 CB PRO A 46 -9.457 -11.174 -3.652 1.00 0.00 C ATOM 705 CG PRO A 46 -8.043 -11.559 -3.918 1.00 0.00 C ATOM 706 CD PRO A 46 -7.374 -11.633 -2.573 1.00 0.00 C ATOM 0 HA PRO A 46 -10.490 -11.247 -1.700 1.00 0.00 H new ATOM 0 HB2 PRO A 46 -10.120 -11.533 -4.439 1.00 0.00 H new ATOM 0 HB3 PRO A 46 -9.571 -10.091 -3.608 1.00 0.00 H new ATOM 0 HG2 PRO A 46 -7.990 -12.518 -4.434 1.00 0.00 H new ATOM 0 HG3 PRO A 46 -7.553 -10.826 -4.558 1.00 0.00 H new ATOM 0 HD2 PRO A 46 -6.601 -12.401 -2.550 1.00 0.00 H new ATOM 0 HD3 PRO A 46 -6.894 -10.690 -2.311 1.00 0.00 H new ATOM 714 N ASP A 47 -9.680 -14.171 -2.901 1.00 0.00 N ATOM 715 CA ASP A 47 -10.204 -15.511 -3.136 1.00 0.00 C ATOM 716 C ASP A 47 -10.661 -16.153 -1.829 1.00 0.00 C ATOM 717 O ASP A 47 -11.755 -16.712 -1.749 1.00 0.00 O ATOM 718 CB ASP A 47 -9.143 -16.387 -3.804 1.00 0.00 C ATOM 719 CG ASP A 47 -9.749 -17.512 -4.619 1.00 0.00 C ATOM 720 OD1 ASP A 47 -10.313 -17.227 -5.696 1.00 0.00 O ATOM 721 OD2 ASP A 47 -9.662 -18.678 -4.179 1.00 0.00 O ATOM 0 H ASP A 47 -8.676 -14.078 -3.055 1.00 0.00 H new ATOM 0 HA ASP A 47 -11.065 -15.426 -3.799 1.00 0.00 H new ATOM 0 HB2 ASP A 47 -8.520 -15.769 -4.451 1.00 0.00 H new ATOM 0 HB3 ASP A 47 -8.490 -16.807 -3.040 1.00 0.00 H new ATOM 726 N LYS A 48 -9.816 -16.068 -0.807 1.00 0.00 N ATOM 727 CA LYS A 48 -10.133 -16.640 0.496 1.00 0.00 C ATOM 728 C LYS A 48 -11.487 -16.144 0.994 1.00 0.00 C ATOM 729 O LYS A 48 -12.193 -16.855 1.708 1.00 0.00 O ATOM 730 CB LYS A 48 -9.043 -16.283 1.510 1.00 0.00 C ATOM 731 CG LYS A 48 -7.662 -16.776 1.117 1.00 0.00 C ATOM 732 CD LYS A 48 -7.401 -18.180 1.639 1.00 0.00 C ATOM 733 CE LYS A 48 -6.201 -18.815 0.954 1.00 0.00 C ATOM 734 NZ LYS A 48 -6.224 -20.300 1.060 1.00 0.00 N ATOM 0 H LYS A 48 -8.907 -15.609 -0.856 1.00 0.00 H new ATOM 0 HA LYS A 48 -10.181 -17.724 0.388 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -9.012 -15.200 1.631 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -9.308 -16.705 2.479 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -7.567 -16.767 0.031 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -6.906 -16.095 1.509 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -7.230 -18.143 2.715 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -8.283 -18.799 1.477 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -6.188 -18.526 -0.097 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -5.283 -18.433 1.401 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -5.390 -20.695 0.581 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -6.211 -20.577 2.062 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -7.087 -20.667 0.611 1.00 0.00 H new ATOM 748 N GLN A 49 -11.842 -14.923 0.610 1.00 0.00 N ATOM 749 CA GLN A 49 -13.113 -14.334 1.017 1.00 0.00 C ATOM 750 C GLN A 49 -14.239 -15.359 0.934 1.00 0.00 C ATOM 751 O GLN A 49 -14.102 -16.395 0.285 1.00 0.00 O ATOM 752 CB GLN A 49 -13.442 -13.124 0.140 1.00 0.00 C ATOM 753 CG GLN A 49 -12.392 -12.027 0.197 1.00 0.00 C ATOM 754 CD GLN A 49 -12.194 -11.481 1.598 1.00 0.00 C ATOM 755 OE1 GLN A 49 -12.916 -10.585 2.035 1.00 0.00 O ATOM 756 NE2 GLN A 49 -11.212 -12.021 2.310 1.00 0.00 N ATOM 0 H GLN A 49 -11.269 -14.322 0.018 1.00 0.00 H new ATOM 0 HA GLN A 49 -13.019 -14.008 2.053 1.00 0.00 H new ATOM 0 HB2 GLN A 49 -13.554 -13.454 -0.893 1.00 0.00 H new ATOM 0 HB3 GLN A 49 -14.403 -12.712 0.449 1.00 0.00 H new ATOM 0 HG2 GLN A 49 -11.444 -12.417 -0.174 1.00 0.00 H new ATOM 0 HG3 GLN A 49 -12.685 -11.214 -0.468 1.00 0.00 H new ATOM 0 HE21 GLN A 49 -10.638 -12.762 1.907 1.00 0.00 H new ATOM 0 HE22 GLN A 49 -11.032 -11.695 3.259 1.00 0.00 H new ATOM 765 N SER A 50 -15.352 -15.062 1.598 1.00 0.00 N ATOM 766 CA SER A 50 -16.501 -15.960 1.603 1.00 0.00 C ATOM 767 C SER A 50 -17.796 -15.183 1.823 1.00 0.00 C ATOM 768 O SER A 50 -17.824 -14.196 2.557 1.00 0.00 O ATOM 769 CB SER A 50 -16.339 -17.022 2.692 1.00 0.00 C ATOM 770 OG SER A 50 -17.296 -18.057 2.541 1.00 0.00 O ATOM 0 H SER A 50 -15.482 -14.207 2.139 1.00 0.00 H new ATOM 0 HA SER A 50 -16.553 -16.451 0.631 1.00 0.00 H new ATOM 0 HB2 SER A 50 -15.334 -17.442 2.648 1.00 0.00 H new ATOM 0 HB3 SER A 50 -16.449 -16.561 3.673 1.00 0.00 H new ATOM 0 HG SER A 50 -17.171 -18.724 3.248 1.00 0.00 H new ATOM 776 N ALA A 51 -18.867 -15.638 1.180 1.00 0.00 N ATOM 777 CA ALA A 51 -20.166 -14.988 1.305 1.00 0.00 C ATOM 778 C ALA A 51 -20.423 -14.548 2.742 1.00 0.00 C ATOM 779 O ALA A 51 -21.188 -13.615 2.988 1.00 0.00 O ATOM 780 CB ALA A 51 -21.270 -15.921 0.832 1.00 0.00 C ATOM 0 H ALA A 51 -18.860 -16.454 0.568 1.00 0.00 H new ATOM 0 HA ALA A 51 -20.162 -14.098 0.675 1.00 0.00 H new ATOM 0 HB1 ALA A 51 -22.235 -15.423 0.931 1.00 0.00 H new ATOM 0 HB2 ALA A 51 -21.102 -16.183 -0.213 1.00 0.00 H new ATOM 0 HB3 ALA A 51 -21.266 -16.827 1.438 1.00 0.00 H new ATOM 786 N ASP A 52 -19.779 -15.224 3.687 1.00 0.00 N ATOM 787 CA ASP A 52 -19.938 -14.902 5.101 1.00 0.00 C ATOM 788 C ASP A 52 -19.735 -13.409 5.344 1.00 0.00 C ATOM 789 O ASP A 52 -20.596 -12.740 5.914 1.00 0.00 O ATOM 790 CB ASP A 52 -18.949 -15.708 5.944 1.00 0.00 C ATOM 791 CG ASP A 52 -18.612 -15.023 7.254 1.00 0.00 C ATOM 792 OD1 ASP A 52 -19.478 -14.296 7.783 1.00 0.00 O ATOM 793 OD2 ASP A 52 -17.481 -15.213 7.749 1.00 0.00 O ATOM 0 H ASP A 52 -19.142 -15.998 3.500 1.00 0.00 H new ATOM 0 HA ASP A 52 -20.954 -15.165 5.397 1.00 0.00 H new ATOM 0 HB2 ASP A 52 -19.369 -16.692 6.150 1.00 0.00 H new ATOM 0 HB3 ASP A 52 -18.034 -15.865 5.374 1.00 0.00 H new ATOM 798 N VAL A 53 -18.589 -12.895 4.909 1.00 0.00 N ATOM 799 CA VAL A 53 -18.272 -11.482 5.080 1.00 0.00 C ATOM 800 C VAL A 53 -19.183 -10.607 4.226 1.00 0.00 C ATOM 801 O VAL A 53 -19.486 -10.921 3.075 1.00 0.00 O ATOM 802 CB VAL A 53 -16.805 -11.187 4.712 1.00 0.00 C ATOM 803 CG1 VAL A 53 -15.869 -12.121 5.464 1.00 0.00 C ATOM 804 CG2 VAL A 53 -16.598 -11.307 3.210 1.00 0.00 C ATOM 0 H VAL A 53 -17.865 -13.436 4.436 1.00 0.00 H new ATOM 0 HA VAL A 53 -18.430 -11.248 6.133 1.00 0.00 H new ATOM 0 HB VAL A 53 -16.573 -10.164 5.006 1.00 0.00 H new ATOM 0 HG11 VAL A 53 -14.837 -11.899 5.192 1.00 0.00 H new ATOM 0 HG12 VAL A 53 -16.000 -11.981 6.537 1.00 0.00 H new ATOM 0 HG13 VAL A 53 -16.098 -13.154 5.203 1.00 0.00 H new ATOM 0 HG21 VAL A 53 -15.556 -11.095 2.968 1.00 0.00 H new ATOM 0 HG22 VAL A 53 -16.847 -12.318 2.888 1.00 0.00 H new ATOM 0 HG23 VAL A 53 -17.242 -10.594 2.696 1.00 0.00 H new ATOM 814 N PRO A 54 -19.632 -9.482 4.802 1.00 0.00 N ATOM 815 CA PRO A 54 -20.515 -8.538 4.111 1.00 0.00 C ATOM 816 C PRO A 54 -19.803 -7.794 2.986 1.00 0.00 C ATOM 817 O PRO A 54 -18.729 -8.200 2.545 1.00 0.00 O ATOM 818 CB PRO A 54 -20.928 -7.564 5.218 1.00 0.00 C ATOM 819 CG PRO A 54 -19.822 -7.631 6.213 1.00 0.00 C ATOM 820 CD PRO A 54 -19.312 -9.045 6.171 1.00 0.00 C ATOM 0 HA PRO A 54 -21.354 -9.042 3.632 1.00 0.00 H new ATOM 0 HB2 PRO A 54 -21.051 -6.553 4.830 1.00 0.00 H new ATOM 0 HB3 PRO A 54 -21.880 -7.852 5.664 1.00 0.00 H new ATOM 0 HG2 PRO A 54 -19.031 -6.923 5.965 1.00 0.00 H new ATOM 0 HG3 PRO A 54 -20.178 -7.374 7.211 1.00 0.00 H new ATOM 0 HD2 PRO A 54 -18.241 -9.092 6.368 1.00 0.00 H new ATOM 0 HD3 PRO A 54 -19.801 -9.671 6.917 1.00 0.00 H new ATOM 828 N ALA A 55 -20.409 -6.704 2.527 1.00 0.00 N ATOM 829 CA ALA A 55 -19.831 -5.903 1.455 1.00 0.00 C ATOM 830 C ALA A 55 -18.936 -4.803 2.014 1.00 0.00 C ATOM 831 O ALA A 55 -17.947 -4.417 1.391 1.00 0.00 O ATOM 832 CB ALA A 55 -20.931 -5.304 0.592 1.00 0.00 C ATOM 0 H ALA A 55 -21.300 -6.355 2.881 1.00 0.00 H new ATOM 0 HA ALA A 55 -19.216 -6.557 0.837 1.00 0.00 H new ATOM 0 HB1 ALA A 55 -20.485 -4.708 -0.204 1.00 0.00 H new ATOM 0 HB2 ALA A 55 -21.528 -6.105 0.155 1.00 0.00 H new ATOM 0 HB3 ALA A 55 -21.570 -4.669 1.206 1.00 0.00 H new ATOM 838 N GLY A 56 -19.289 -4.300 3.193 1.00 0.00 N ATOM 839 CA GLY A 56 -18.507 -3.247 3.815 1.00 0.00 C ATOM 840 C GLY A 56 -17.101 -3.696 4.159 1.00 0.00 C ATOM 841 O GLY A 56 -16.128 -3.004 3.858 1.00 0.00 O ATOM 0 H GLY A 56 -20.103 -4.603 3.729 1.00 0.00 H new ATOM 0 HA2 GLY A 56 -18.457 -2.390 3.143 1.00 0.00 H new ATOM 0 HA3 GLY A 56 -19.010 -2.912 4.722 1.00 0.00 H new ATOM 845 N THR A 57 -16.991 -4.859 4.794 1.00 0.00 N ATOM 846 CA THR A 57 -15.694 -5.399 5.182 1.00 0.00 C ATOM 847 C THR A 57 -14.776 -5.546 3.974 1.00 0.00 C ATOM 848 O THR A 57 -13.589 -5.228 4.043 1.00 0.00 O ATOM 849 CB THR A 57 -15.838 -6.768 5.872 1.00 0.00 C ATOM 850 OG1 THR A 57 -16.608 -6.633 7.072 1.00 0.00 O ATOM 851 CG2 THR A 57 -14.474 -7.355 6.203 1.00 0.00 C ATOM 0 H THR A 57 -17.785 -5.445 5.051 1.00 0.00 H new ATOM 0 HA THR A 57 -15.255 -4.691 5.885 1.00 0.00 H new ATOM 0 HB THR A 57 -16.349 -7.443 5.186 1.00 0.00 H new ATOM 0 HG1 THR A 57 -16.697 -7.508 7.504 1.00 0.00 H new ATOM 0 HG21 THR A 57 -14.602 -8.322 6.690 1.00 0.00 H new ATOM 0 HG22 THR A 57 -13.901 -7.484 5.285 1.00 0.00 H new ATOM 0 HG23 THR A 57 -13.940 -6.680 6.872 1.00 0.00 H new ATOM 859 N MET A 58 -15.333 -6.029 2.869 1.00 0.00 N ATOM 860 CA MET A 58 -14.563 -6.216 1.644 1.00 0.00 C ATOM 861 C MET A 58 -13.684 -5.002 1.364 1.00 0.00 C ATOM 862 O MET A 58 -12.460 -5.113 1.298 1.00 0.00 O ATOM 863 CB MET A 58 -15.500 -6.466 0.461 1.00 0.00 C ATOM 864 CG MET A 58 -14.819 -7.134 -0.723 1.00 0.00 C ATOM 865 SD MET A 58 -14.087 -8.726 -0.296 1.00 0.00 S ATOM 866 CE MET A 58 -15.499 -9.567 0.416 1.00 0.00 C ATOM 0 H MET A 58 -16.314 -6.298 2.796 1.00 0.00 H new ATOM 0 HA MET A 58 -13.919 -7.085 1.778 1.00 0.00 H new ATOM 0 HB2 MET A 58 -16.331 -7.090 0.791 1.00 0.00 H new ATOM 0 HB3 MET A 58 -15.924 -5.516 0.137 1.00 0.00 H new ATOM 0 HG2 MET A 58 -15.546 -7.276 -1.523 1.00 0.00 H new ATOM 0 HG3 MET A 58 -14.043 -6.474 -1.111 1.00 0.00 H new ATOM 0 HE1 MET A 58 -15.366 -10.645 0.322 1.00 0.00 H new ATOM 0 HE2 MET A 58 -15.587 -9.303 1.470 1.00 0.00 H new ATOM 0 HE3 MET A 58 -16.405 -9.266 -0.110 1.00 0.00 H new ATOM 876 N GLU A 59 -14.316 -3.844 1.199 1.00 0.00 N ATOM 877 CA GLU A 59 -13.590 -2.610 0.925 1.00 0.00 C ATOM 878 C GLU A 59 -12.276 -2.568 1.700 1.00 0.00 C ATOM 879 O GLU A 59 -11.202 -2.435 1.114 1.00 0.00 O ATOM 880 CB GLU A 59 -14.447 -1.396 1.288 1.00 0.00 C ATOM 881 CG GLU A 59 -13.685 -0.082 1.260 1.00 0.00 C ATOM 882 CD GLU A 59 -14.472 1.062 1.870 1.00 0.00 C ATOM 883 OE1 GLU A 59 -15.706 1.098 1.687 1.00 0.00 O ATOM 884 OE2 GLU A 59 -13.852 1.922 2.530 1.00 0.00 O ATOM 0 H GLU A 59 -15.329 -3.735 1.250 1.00 0.00 H new ATOM 0 HA GLU A 59 -13.365 -2.581 -0.141 1.00 0.00 H new ATOM 0 HB2 GLU A 59 -15.286 -1.334 0.595 1.00 0.00 H new ATOM 0 HB3 GLU A 59 -14.866 -1.542 2.284 1.00 0.00 H new ATOM 0 HG2 GLU A 59 -12.745 -0.200 1.799 1.00 0.00 H new ATOM 0 HG3 GLU A 59 -13.432 0.165 0.229 1.00 0.00 H new ATOM 891 N GLU A 60 -12.371 -2.683 3.021 1.00 0.00 N ATOM 892 CA GLU A 60 -11.190 -2.656 3.876 1.00 0.00 C ATOM 893 C GLU A 60 -10.253 -3.814 3.545 1.00 0.00 C ATOM 894 O GLU A 60 -9.041 -3.630 3.422 1.00 0.00 O ATOM 895 CB GLU A 60 -11.599 -2.722 5.349 1.00 0.00 C ATOM 896 CG GLU A 60 -12.476 -1.562 5.790 1.00 0.00 C ATOM 897 CD GLU A 60 -11.807 -0.215 5.588 1.00 0.00 C ATOM 898 OE1 GLU A 60 -11.698 0.225 4.425 1.00 0.00 O ATOM 899 OE2 GLU A 60 -11.393 0.397 6.595 1.00 0.00 O ATOM 0 H GLU A 60 -13.252 -2.796 3.522 1.00 0.00 H new ATOM 0 HA GLU A 60 -10.662 -1.720 3.694 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -12.130 -3.657 5.528 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -10.701 -2.742 5.966 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -13.412 -1.586 5.232 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -12.730 -1.683 6.843 1.00 0.00 H new ATOM 906 N CYS A 61 -10.822 -5.006 3.403 1.00 0.00 N ATOM 907 CA CYS A 61 -10.038 -6.195 3.088 1.00 0.00 C ATOM 908 C CYS A 61 -9.119 -5.941 1.897 1.00 0.00 C ATOM 909 O CYS A 61 -8.006 -6.461 1.838 1.00 0.00 O ATOM 910 CB CYS A 61 -10.962 -7.377 2.791 1.00 0.00 C ATOM 911 SG CYS A 61 -11.484 -8.293 4.260 1.00 0.00 S ATOM 0 H CYS A 61 -11.823 -5.175 3.501 1.00 0.00 H new ATOM 0 HA CYS A 61 -9.422 -6.434 3.955 1.00 0.00 H new ATOM 0 HB2 CYS A 61 -11.847 -7.011 2.271 1.00 0.00 H new ATOM 0 HB3 CYS A 61 -10.453 -8.061 2.112 1.00 0.00 H new ATOM 0 HG CYS A 61 -12.137 -9.357 3.898 1.00 0.00 H new ATOM 917 N MET A 62 -9.595 -5.138 0.951 1.00 0.00 N ATOM 918 CA MET A 62 -8.816 -4.816 -0.239 1.00 0.00 C ATOM 919 C MET A 62 -7.622 -3.935 0.115 1.00 0.00 C ATOM 920 O MET A 62 -6.476 -4.379 0.063 1.00 0.00 O ATOM 921 CB MET A 62 -9.695 -4.111 -1.275 1.00 0.00 C ATOM 922 CG MET A 62 -9.109 -4.121 -2.677 1.00 0.00 C ATOM 923 SD MET A 62 -9.489 -5.636 -3.578 1.00 0.00 S ATOM 924 CE MET A 62 -8.112 -5.705 -4.721 1.00 0.00 C ATOM 0 H MET A 62 -10.515 -4.699 0.985 1.00 0.00 H new ATOM 0 HA MET A 62 -8.444 -5.749 -0.663 1.00 0.00 H new ATOM 0 HB2 MET A 62 -10.674 -4.591 -1.296 1.00 0.00 H new ATOM 0 HB3 MET A 62 -9.853 -3.078 -0.963 1.00 0.00 H new ATOM 0 HG2 MET A 62 -9.493 -3.266 -3.233 1.00 0.00 H new ATOM 0 HG3 MET A 62 -8.027 -4.001 -2.615 1.00 0.00 H new ATOM 0 HE1 MET A 62 -8.399 -6.279 -5.602 1.00 0.00 H new ATOM 0 HE2 MET A 62 -7.837 -4.694 -5.021 1.00 0.00 H new ATOM 0 HE3 MET A 62 -7.261 -6.184 -4.237 1.00 0.00 H new ATOM 934 N GLN A 63 -7.900 -2.685 0.474 1.00 0.00 N ATOM 935 CA GLN A 63 -6.848 -1.743 0.836 1.00 0.00 C ATOM 936 C GLN A 63 -5.728 -2.444 1.598 1.00 0.00 C ATOM 937 O GLN A 63 -4.562 -2.061 1.501 1.00 0.00 O ATOM 938 CB GLN A 63 -7.422 -0.605 1.681 1.00 0.00 C ATOM 939 CG GLN A 63 -8.503 0.194 0.972 1.00 0.00 C ATOM 940 CD GLN A 63 -8.074 0.666 -0.403 1.00 0.00 C ATOM 941 OE1 GLN A 63 -6.945 1.122 -0.591 1.00 0.00 O ATOM 942 NE2 GLN A 63 -8.973 0.559 -1.373 1.00 0.00 N ATOM 0 H GLN A 63 -8.844 -2.302 0.522 1.00 0.00 H new ATOM 0 HA GLN A 63 -6.433 -1.329 -0.083 1.00 0.00 H new ATOM 0 HB2 GLN A 63 -7.833 -1.019 2.602 1.00 0.00 H new ATOM 0 HB3 GLN A 63 -6.613 0.068 1.967 1.00 0.00 H new ATOM 0 HG2 GLN A 63 -9.399 -0.419 0.878 1.00 0.00 H new ATOM 0 HG3 GLN A 63 -8.770 1.058 1.581 1.00 0.00 H new ATOM 0 HE21 GLN A 63 -9.897 0.175 -1.172 1.00 0.00 H new ATOM 0 HE22 GLN A 63 -8.741 0.860 -2.319 1.00 0.00 H new ATOM 951 N LYS A 64 -6.089 -3.473 2.357 1.00 0.00 N ATOM 952 CA LYS A 64 -5.115 -4.229 3.136 1.00 0.00 C ATOM 953 C LYS A 64 -4.209 -5.050 2.224 1.00 0.00 C ATOM 954 O LYS A 64 -2.996 -4.842 2.187 1.00 0.00 O ATOM 955 CB LYS A 64 -5.830 -5.150 4.128 1.00 0.00 C ATOM 956 CG LYS A 64 -6.355 -4.429 5.357 1.00 0.00 C ATOM 957 CD LYS A 64 -5.319 -4.394 6.468 1.00 0.00 C ATOM 958 CE LYS A 64 -4.081 -3.615 6.051 1.00 0.00 C ATOM 959 NZ LYS A 64 -3.208 -3.296 7.215 1.00 0.00 N ATOM 0 H LYS A 64 -7.050 -3.803 2.449 1.00 0.00 H new ATOM 0 HA LYS A 64 -4.498 -3.520 3.688 1.00 0.00 H new ATOM 0 HB2 LYS A 64 -6.662 -5.640 3.622 1.00 0.00 H new ATOM 0 HB3 LYS A 64 -5.142 -5.934 4.443 1.00 0.00 H new ATOM 0 HG2 LYS A 64 -6.638 -3.411 5.090 1.00 0.00 H new ATOM 0 HG3 LYS A 64 -7.257 -4.927 5.714 1.00 0.00 H new ATOM 0 HD2 LYS A 64 -5.754 -3.939 7.358 1.00 0.00 H new ATOM 0 HD3 LYS A 64 -5.037 -5.412 6.736 1.00 0.00 H new ATOM 0 HE2 LYS A 64 -3.516 -4.195 5.321 1.00 0.00 H new ATOM 0 HE3 LYS A 64 -4.382 -2.690 5.559 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 -2.375 -2.765 6.889 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 -3.739 -2.721 7.900 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 -2.899 -4.179 7.670 1.00 0.00 H new ATOM 973 N PHE A 65 -4.806 -5.983 1.490 1.00 0.00 N ATOM 974 CA PHE A 65 -4.052 -6.836 0.577 1.00 0.00 C ATOM 975 C PHE A 65 -3.051 -6.016 -0.231 1.00 0.00 C ATOM 976 O PHE A 65 -1.849 -6.280 -0.201 1.00 0.00 O ATOM 977 CB PHE A 65 -5.003 -7.575 -0.366 1.00 0.00 C ATOM 978 CG PHE A 65 -4.306 -8.529 -1.293 1.00 0.00 C ATOM 979 CD1 PHE A 65 -3.872 -9.764 -0.839 1.00 0.00 C ATOM 980 CD2 PHE A 65 -4.084 -8.191 -2.618 1.00 0.00 C ATOM 981 CE1 PHE A 65 -3.230 -10.645 -1.690 1.00 0.00 C ATOM 982 CE2 PHE A 65 -3.443 -9.067 -3.473 1.00 0.00 C ATOM 983 CZ PHE A 65 -3.015 -10.295 -3.008 1.00 0.00 C ATOM 0 H PHE A 65 -5.809 -6.168 1.509 1.00 0.00 H new ATOM 0 HA PHE A 65 -3.501 -7.565 1.171 1.00 0.00 H new ATOM 0 HB2 PHE A 65 -5.734 -8.125 0.226 1.00 0.00 H new ATOM 0 HB3 PHE A 65 -5.556 -6.845 -0.957 1.00 0.00 H new ATOM 0 HD1 PHE A 65 -4.037 -10.042 0.192 1.00 0.00 H new ATOM 0 HD2 PHE A 65 -4.416 -7.232 -2.987 1.00 0.00 H new ATOM 0 HE1 PHE A 65 -2.897 -11.605 -1.324 1.00 0.00 H new ATOM 0 HE2 PHE A 65 -3.277 -8.792 -4.504 1.00 0.00 H new ATOM 0 HZ PHE A 65 -2.513 -10.981 -3.675 1.00 0.00 H new ATOM 993 N ILE A 66 -3.556 -5.021 -0.953 1.00 0.00 N ATOM 994 CA ILE A 66 -2.706 -4.163 -1.769 1.00 0.00 C ATOM 995 C ILE A 66 -1.484 -3.695 -0.987 1.00 0.00 C ATOM 996 O ILE A 66 -0.348 -3.892 -1.417 1.00 0.00 O ATOM 997 CB ILE A 66 -3.476 -2.931 -2.280 1.00 0.00 C ATOM 998 CG1 ILE A 66 -4.419 -3.328 -3.419 1.00 0.00 C ATOM 999 CG2 ILE A 66 -2.506 -1.853 -2.740 1.00 0.00 C ATOM 1000 CD1 ILE A 66 -5.585 -4.179 -2.968 1.00 0.00 C ATOM 0 H ILE A 66 -4.549 -4.789 -0.989 1.00 0.00 H new ATOM 0 HA ILE A 66 -2.382 -4.760 -2.622 1.00 0.00 H new ATOM 0 HB ILE A 66 -4.074 -2.529 -1.462 1.00 0.00 H new ATOM 0 HG12 ILE A 66 -4.801 -2.425 -3.895 1.00 0.00 H new ATOM 0 HG13 ILE A 66 -3.853 -3.872 -4.175 1.00 0.00 H new ATOM 0 HG21 ILE A 66 -3.066 -0.989 -3.098 1.00 0.00 H new ATOM 0 HG22 ILE A 66 -1.872 -1.554 -1.905 1.00 0.00 H new ATOM 0 HG23 ILE A 66 -1.885 -2.243 -3.546 1.00 0.00 H new ATOM 0 HD11 ILE A 66 -6.211 -4.423 -3.826 1.00 0.00 H new ATOM 0 HD12 ILE A 66 -5.212 -5.099 -2.518 1.00 0.00 H new ATOM 0 HD13 ILE A 66 -6.174 -3.629 -2.234 1.00 0.00 H new ATOM 1012 N GLU A 67 -1.726 -3.077 0.165 1.00 0.00 N ATOM 1013 CA GLU A 67 -0.643 -2.583 1.008 1.00 0.00 C ATOM 1014 C GLU A 67 0.349 -3.697 1.328 1.00 0.00 C ATOM 1015 O GLU A 67 1.556 -3.542 1.133 1.00 0.00 O ATOM 1016 CB GLU A 67 -1.204 -1.997 2.306 1.00 0.00 C ATOM 1017 CG GLU A 67 -1.916 -0.668 2.116 1.00 0.00 C ATOM 1018 CD GLU A 67 -2.767 -0.286 3.311 1.00 0.00 C ATOM 1019 OE1 GLU A 67 -3.794 -0.956 3.546 1.00 0.00 O ATOM 1020 OE2 GLU A 67 -2.406 0.683 4.011 1.00 0.00 O ATOM 0 H GLU A 67 -2.661 -2.907 0.536 1.00 0.00 H new ATOM 0 HA GLU A 67 -0.119 -1.800 0.460 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -1.899 -2.712 2.747 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -0.389 -1.864 3.017 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -1.177 0.113 1.936 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -2.546 -0.721 1.228 1.00 0.00 H new ATOM 1027 N ILE A 68 -0.167 -4.818 1.819 1.00 0.00 N ATOM 1028 CA ILE A 68 0.673 -5.958 2.165 1.00 0.00 C ATOM 1029 C ILE A 68 1.560 -6.364 0.992 1.00 0.00 C ATOM 1030 O ILE A 68 2.787 -6.332 1.088 1.00 0.00 O ATOM 1031 CB ILE A 68 -0.172 -7.170 2.599 1.00 0.00 C ATOM 1032 CG1 ILE A 68 -1.067 -6.798 3.783 1.00 0.00 C ATOM 1033 CG2 ILE A 68 0.728 -8.343 2.956 1.00 0.00 C ATOM 1034 CD1 ILE A 68 -2.362 -7.578 3.830 1.00 0.00 C ATOM 0 H ILE A 68 -1.163 -4.962 1.986 1.00 0.00 H new ATOM 0 HA ILE A 68 1.300 -5.645 3.000 1.00 0.00 H new ATOM 0 HB ILE A 68 -0.809 -7.467 1.766 1.00 0.00 H new ATOM 0 HG12 ILE A 68 -0.518 -6.965 4.710 1.00 0.00 H new ATOM 0 HG13 ILE A 68 -1.295 -5.733 3.735 1.00 0.00 H new ATOM 0 HG21 ILE A 68 0.116 -9.192 3.261 1.00 0.00 H new ATOM 0 HG22 ILE A 68 1.326 -8.620 2.088 1.00 0.00 H new ATOM 0 HG23 ILE A 68 1.388 -8.059 3.776 1.00 0.00 H new ATOM 0 HD11 ILE A 68 -2.946 -7.262 4.695 1.00 0.00 H new ATOM 0 HD12 ILE A 68 -2.932 -7.392 2.920 1.00 0.00 H new ATOM 0 HD13 ILE A 68 -2.143 -8.643 3.909 1.00 0.00 H new ATOM 1046 N ASP A 69 0.930 -6.744 -0.114 1.00 0.00 N ATOM 1047 CA ASP A 69 1.661 -7.154 -1.307 1.00 0.00 C ATOM 1048 C ASP A 69 2.819 -6.202 -1.589 1.00 0.00 C ATOM 1049 O ASP A 69 3.812 -6.584 -2.208 1.00 0.00 O ATOM 1050 CB ASP A 69 0.722 -7.205 -2.514 1.00 0.00 C ATOM 1051 CG ASP A 69 1.292 -8.022 -3.657 1.00 0.00 C ATOM 1052 OD1 ASP A 69 1.091 -9.254 -3.663 1.00 0.00 O ATOM 1053 OD2 ASP A 69 1.940 -7.429 -4.545 1.00 0.00 O ATOM 0 H ASP A 69 -0.085 -6.777 -0.209 1.00 0.00 H new ATOM 0 HA ASP A 69 2.067 -8.150 -1.129 1.00 0.00 H new ATOM 0 HB2 ASP A 69 -0.234 -7.630 -2.209 1.00 0.00 H new ATOM 0 HB3 ASP A 69 0.524 -6.190 -2.860 1.00 0.00 H new ATOM 1058 N GLN A 70 2.683 -4.962 -1.131 1.00 0.00 N ATOM 1059 CA GLN A 70 3.719 -3.955 -1.335 1.00 0.00 C ATOM 1060 C GLN A 70 4.765 -4.018 -0.228 1.00 0.00 C ATOM 1061 O GLN A 70 5.959 -4.145 -0.495 1.00 0.00 O ATOM 1062 CB GLN A 70 3.098 -2.558 -1.388 1.00 0.00 C ATOM 1063 CG GLN A 70 2.657 -2.141 -2.782 1.00 0.00 C ATOM 1064 CD GLN A 70 1.976 -3.264 -3.540 1.00 0.00 C ATOM 1065 OE1 GLN A 70 2.558 -4.328 -3.750 1.00 0.00 O ATOM 1066 NE2 GLN A 70 0.736 -3.031 -3.955 1.00 0.00 N ATOM 0 H GLN A 70 1.867 -4.630 -0.617 1.00 0.00 H new ATOM 0 HA GLN A 70 4.210 -4.163 -2.286 1.00 0.00 H new ATOM 0 HB2 GLN A 70 2.238 -2.526 -0.719 1.00 0.00 H new ATOM 0 HB3 GLN A 70 3.821 -1.834 -1.013 1.00 0.00 H new ATOM 0 HG2 GLN A 70 1.975 -1.294 -2.705 1.00 0.00 H new ATOM 0 HG3 GLN A 70 3.525 -1.801 -3.347 1.00 0.00 H new ATOM 0 HE21 GLN A 70 0.292 -2.134 -3.758 1.00 0.00 H new ATOM 0 HE22 GLN A 70 0.227 -3.749 -4.470 1.00 0.00 H new ATOM 1075 N ALA A 71 4.308 -3.927 1.017 1.00 0.00 N ATOM 1076 CA ALA A 71 5.205 -3.975 2.165 1.00 0.00 C ATOM 1077 C ALA A 71 6.281 -5.039 1.978 1.00 0.00 C ATOM 1078 O ALA A 71 7.365 -4.947 2.554 1.00 0.00 O ATOM 1079 CB ALA A 71 4.416 -4.238 3.440 1.00 0.00 C ATOM 0 H ALA A 71 3.322 -3.820 1.256 1.00 0.00 H new ATOM 0 HA ALA A 71 5.699 -3.007 2.249 1.00 0.00 H new ATOM 0 HB1 ALA A 71 5.098 -4.271 4.290 1.00 0.00 H new ATOM 0 HB2 ALA A 71 3.689 -3.440 3.589 1.00 0.00 H new ATOM 0 HB3 ALA A 71 3.895 -5.192 3.355 1.00 0.00 H new ATOM 1085 N TRP A 72 5.974 -6.047 1.169 1.00 0.00 N ATOM 1086 CA TRP A 72 6.916 -7.129 0.907 1.00 0.00 C ATOM 1087 C TRP A 72 7.942 -6.715 -0.143 1.00 0.00 C ATOM 1088 O TRP A 72 9.121 -7.057 -0.042 1.00 0.00 O ATOM 1089 CB TRP A 72 6.170 -8.381 0.442 1.00 0.00 C ATOM 1090 CG TRP A 72 7.040 -9.599 0.372 1.00 0.00 C ATOM 1091 CD1 TRP A 72 7.188 -10.440 -0.694 1.00 0.00 C ATOM 1092 CD2 TRP A 72 7.880 -10.114 1.411 1.00 0.00 C ATOM 1093 NE1 TRP A 72 8.069 -11.446 -0.380 1.00 0.00 N ATOM 1094 CE2 TRP A 72 8.508 -11.268 0.906 1.00 0.00 C ATOM 1095 CE3 TRP A 72 8.163 -9.710 2.719 1.00 0.00 C ATOM 1096 CZ2 TRP A 72 9.401 -12.022 1.663 1.00 0.00 C ATOM 1097 CZ3 TRP A 72 9.049 -10.459 3.470 1.00 0.00 C ATOM 1098 CH2 TRP A 72 9.660 -11.604 2.940 1.00 0.00 C ATOM 0 H TRP A 72 5.081 -6.137 0.684 1.00 0.00 H new ATOM 0 HA TRP A 72 7.442 -7.352 1.835 1.00 0.00 H new ATOM 0 HB2 TRP A 72 5.340 -8.574 1.122 1.00 0.00 H new ATOM 0 HB3 TRP A 72 5.739 -8.194 -0.542 1.00 0.00 H new ATOM 0 HD1 TRP A 72 6.686 -10.330 -1.644 1.00 0.00 H new ATOM 0 HE1 TRP A 72 8.351 -12.203 -1.003 1.00 0.00 H new ATOM 0 HE3 TRP A 72 7.698 -8.829 3.135 1.00 0.00 H new ATOM 0 HZ2 TRP A 72 9.872 -12.905 1.257 1.00 0.00 H new ATOM 0 HZ3 TRP A 72 9.274 -10.157 4.482 1.00 0.00 H new ATOM 0 HH2 TRP A 72 10.349 -12.167 3.552 1.00 0.00 H new ATOM 1109 N LYS A 73 7.488 -5.977 -1.150 1.00 0.00 N ATOM 1110 CA LYS A 73 8.366 -5.515 -2.217 1.00 0.00 C ATOM 1111 C LYS A 73 9.635 -4.889 -1.646 1.00 0.00 C ATOM 1112 O LYS A 73 10.721 -5.049 -2.202 1.00 0.00 O ATOM 1113 CB LYS A 73 7.638 -4.500 -3.102 1.00 0.00 C ATOM 1114 CG LYS A 73 6.551 -5.116 -3.966 1.00 0.00 C ATOM 1115 CD LYS A 73 5.718 -4.050 -4.658 1.00 0.00 C ATOM 1116 CE LYS A 73 6.410 -3.526 -5.907 1.00 0.00 C ATOM 1117 NZ LYS A 73 5.749 -2.300 -6.435 1.00 0.00 N ATOM 0 H LYS A 73 6.515 -5.686 -1.249 1.00 0.00 H new ATOM 0 HA LYS A 73 8.647 -6.378 -2.820 1.00 0.00 H new ATOM 0 HB2 LYS A 73 7.195 -3.731 -2.469 1.00 0.00 H new ATOM 0 HB3 LYS A 73 8.365 -4.004 -3.746 1.00 0.00 H new ATOM 0 HG2 LYS A 73 7.004 -5.767 -4.714 1.00 0.00 H new ATOM 0 HG3 LYS A 73 5.905 -5.741 -3.349 1.00 0.00 H new ATOM 0 HD2 LYS A 73 4.746 -4.463 -4.926 1.00 0.00 H new ATOM 0 HD3 LYS A 73 5.535 -3.225 -3.969 1.00 0.00 H new ATOM 0 HE2 LYS A 73 7.453 -3.307 -5.679 1.00 0.00 H new ATOM 0 HE3 LYS A 73 6.407 -4.299 -6.675 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 6.250 -1.974 -7.286 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 4.761 -2.515 -6.676 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 5.774 -1.553 -5.712 1.00 0.00 H new ATOM 1131 N ILE A 74 9.488 -4.177 -0.534 1.00 0.00 N ATOM 1132 CA ILE A 74 10.623 -3.530 0.114 1.00 0.00 C ATOM 1133 C ILE A 74 11.224 -4.425 1.193 1.00 0.00 C ATOM 1134 O ILE A 74 12.435 -4.648 1.227 1.00 0.00 O ATOM 1135 CB ILE A 74 10.219 -2.185 0.744 1.00 0.00 C ATOM 1136 CG1 ILE A 74 9.792 -1.195 -0.342 1.00 0.00 C ATOM 1137 CG2 ILE A 74 11.369 -1.617 1.563 1.00 0.00 C ATOM 1138 CD1 ILE A 74 8.399 -1.447 -0.875 1.00 0.00 C ATOM 0 H ILE A 74 8.595 -4.033 -0.063 1.00 0.00 H new ATOM 0 HA ILE A 74 11.368 -3.350 -0.661 1.00 0.00 H new ATOM 0 HB ILE A 74 9.372 -2.353 1.409 1.00 0.00 H new ATOM 0 HG12 ILE A 74 9.841 -0.183 0.060 1.00 0.00 H new ATOM 0 HG13 ILE A 74 10.503 -1.244 -1.167 1.00 0.00 H new ATOM 0 HG21 ILE A 74 11.068 -0.666 2.002 1.00 0.00 H new ATOM 0 HG22 ILE A 74 11.631 -2.317 2.357 1.00 0.00 H new ATOM 0 HG23 ILE A 74 12.233 -1.461 0.917 1.00 0.00 H new ATOM 0 HD11 ILE A 74 8.163 -0.708 -1.641 1.00 0.00 H new ATOM 0 HD12 ILE A 74 8.350 -2.446 -1.308 1.00 0.00 H new ATOM 0 HD13 ILE A 74 7.678 -1.369 -0.061 1.00 0.00 H new ATOM 1150 N LEU A 75 10.370 -4.937 2.072 1.00 0.00 N ATOM 1151 CA LEU A 75 10.815 -5.810 3.152 1.00 0.00 C ATOM 1152 C LEU A 75 10.906 -7.258 2.681 1.00 0.00 C ATOM 1153 O LEU A 75 10.796 -8.189 3.477 1.00 0.00 O ATOM 1154 CB LEU A 75 9.861 -5.708 4.343 1.00 0.00 C ATOM 1155 CG LEU A 75 9.647 -4.306 4.914 1.00 0.00 C ATOM 1156 CD1 LEU A 75 8.978 -4.382 6.278 1.00 0.00 C ATOM 1157 CD2 LEU A 75 10.971 -3.561 5.008 1.00 0.00 C ATOM 0 H LEU A 75 9.365 -4.763 2.058 1.00 0.00 H new ATOM 0 HA LEU A 75 11.809 -5.486 3.461 1.00 0.00 H new ATOM 0 HB2 LEU A 75 8.893 -6.108 4.042 1.00 0.00 H new ATOM 0 HB3 LEU A 75 10.237 -6.350 5.140 1.00 0.00 H new ATOM 0 HG LEU A 75 8.990 -3.756 4.240 1.00 0.00 H new ATOM 0 HD11 LEU A 75 8.834 -3.375 6.669 1.00 0.00 H new ATOM 0 HD12 LEU A 75 8.011 -4.876 6.182 1.00 0.00 H new ATOM 0 HD13 LEU A 75 9.609 -4.950 6.962 1.00 0.00 H new ATOM 0 HD21 LEU A 75 10.800 -2.565 5.416 1.00 0.00 H new ATOM 0 HD22 LEU A 75 11.651 -4.109 5.660 1.00 0.00 H new ATOM 0 HD23 LEU A 75 11.411 -3.475 4.015 1.00 0.00 H new ATOM 1169 N GLY A 76 11.109 -7.439 1.379 1.00 0.00 N ATOM 1170 CA GLY A 76 11.213 -8.776 0.824 1.00 0.00 C ATOM 1171 C GLY A 76 12.560 -9.032 0.178 1.00 0.00 C ATOM 1172 O GLY A 76 13.097 -10.135 0.264 1.00 0.00 O ATOM 0 H GLY A 76 11.203 -6.684 0.700 1.00 0.00 H new ATOM 0 HA2 GLY A 76 11.048 -9.508 1.614 1.00 0.00 H new ATOM 0 HA3 GLY A 76 10.425 -8.922 0.085 1.00 0.00 H new ATOM 1176 N ASN A 77 13.106 -8.010 -0.473 1.00 0.00 N ATOM 1177 CA ASN A 77 14.398 -8.131 -1.139 1.00 0.00 C ATOM 1178 C ASN A 77 15.492 -7.435 -0.334 1.00 0.00 C ATOM 1179 O ASN A 77 15.492 -6.212 -0.197 1.00 0.00 O ATOM 1180 CB ASN A 77 14.328 -7.535 -2.546 1.00 0.00 C ATOM 1181 CG ASN A 77 15.632 -7.690 -3.305 1.00 0.00 C ATOM 1182 OD1 ASN A 77 16.709 -7.717 -2.711 1.00 0.00 O ATOM 1183 ND2 ASN A 77 15.538 -7.791 -4.626 1.00 0.00 N ATOM 0 H ASN A 77 12.674 -7.089 -0.554 1.00 0.00 H new ATOM 0 HA ASN A 77 14.643 -9.191 -1.212 1.00 0.00 H new ATOM 0 HB2 ASN A 77 13.526 -8.020 -3.103 1.00 0.00 H new ATOM 0 HB3 ASN A 77 14.074 -6.477 -2.477 1.00 0.00 H new ATOM 0 HD21 ASN A 77 16.381 -7.896 -5.191 1.00 0.00 H new ATOM 0 HD22 ASN A 77 14.623 -7.764 -5.076 1.00 0.00 H new ATOM 1190 N GLU A 78 16.422 -8.224 0.195 1.00 0.00 N ATOM 1191 CA GLU A 78 17.521 -7.683 0.987 1.00 0.00 C ATOM 1192 C GLU A 78 17.955 -6.320 0.455 1.00 0.00 C ATOM 1193 O GLU A 78 18.109 -5.366 1.217 1.00 0.00 O ATOM 1194 CB GLU A 78 18.709 -8.648 0.977 1.00 0.00 C ATOM 1195 CG GLU A 78 18.622 -9.730 2.040 1.00 0.00 C ATOM 1196 CD GLU A 78 17.887 -10.965 1.557 1.00 0.00 C ATOM 1197 OE1 GLU A 78 16.746 -10.823 1.069 1.00 0.00 O ATOM 1198 OE2 GLU A 78 18.452 -12.073 1.665 1.00 0.00 O ATOM 0 H GLU A 78 16.437 -9.238 0.090 1.00 0.00 H new ATOM 0 HA GLU A 78 17.171 -7.559 2.012 1.00 0.00 H new ATOM 0 HB2 GLU A 78 18.776 -9.118 -0.004 1.00 0.00 H new ATOM 0 HB3 GLU A 78 19.628 -8.081 1.122 1.00 0.00 H new ATOM 0 HG2 GLU A 78 19.628 -10.009 2.352 1.00 0.00 H new ATOM 0 HG3 GLU A 78 18.115 -9.331 2.919 1.00 0.00 H new ATOM 1205 N GLU A 79 18.151 -6.238 -0.857 1.00 0.00 N ATOM 1206 CA GLU A 79 18.568 -4.993 -1.490 1.00 0.00 C ATOM 1207 C GLU A 79 17.674 -3.835 -1.056 1.00 0.00 C ATOM 1208 O GLU A 79 18.139 -2.871 -0.445 1.00 0.00 O ATOM 1209 CB GLU A 79 18.535 -5.133 -3.014 1.00 0.00 C ATOM 1210 CG GLU A 79 19.341 -6.311 -3.534 1.00 0.00 C ATOM 1211 CD GLU A 79 20.800 -6.246 -3.125 1.00 0.00 C ATOM 1212 OE1 GLU A 79 21.355 -5.128 -3.080 1.00 0.00 O ATOM 1213 OE2 GLU A 79 21.386 -7.313 -2.850 1.00 0.00 O ATOM 0 H GLU A 79 18.028 -7.019 -1.502 1.00 0.00 H new ATOM 0 HA GLU A 79 19.589 -4.780 -1.174 1.00 0.00 H new ATOM 0 HB2 GLU A 79 17.500 -5.240 -3.338 1.00 0.00 H new ATOM 0 HB3 GLU A 79 18.916 -4.216 -3.463 1.00 0.00 H new ATOM 0 HG2 GLU A 79 18.904 -7.238 -3.162 1.00 0.00 H new ATOM 0 HG3 GLU A 79 19.273 -6.341 -4.621 1.00 0.00 H new ATOM 1220 N THR A 80 16.388 -3.936 -1.375 1.00 0.00 N ATOM 1221 CA THR A 80 15.428 -2.898 -1.020 1.00 0.00 C ATOM 1222 C THR A 80 15.370 -2.696 0.490 1.00 0.00 C ATOM 1223 O THR A 80 15.593 -1.593 0.988 1.00 0.00 O ATOM 1224 CB THR A 80 14.017 -3.237 -1.536 1.00 0.00 C ATOM 1225 OG1 THR A 80 13.572 -4.474 -0.968 1.00 0.00 O ATOM 1226 CG2 THR A 80 14.005 -3.336 -3.054 1.00 0.00 C ATOM 0 H THR A 80 15.987 -4.727 -1.879 1.00 0.00 H new ATOM 0 HA THR A 80 15.768 -1.977 -1.494 1.00 0.00 H new ATOM 0 HB THR A 80 13.342 -2.436 -1.235 1.00 0.00 H new ATOM 0 HG1 THR A 80 13.212 -4.311 -0.071 1.00 0.00 H new ATOM 0 HG21 THR A 80 12.998 -3.576 -3.395 1.00 0.00 H new ATOM 0 HG22 THR A 80 14.316 -2.384 -3.483 1.00 0.00 H new ATOM 0 HG23 THR A 80 14.693 -4.119 -3.373 1.00 0.00 H new ATOM 1234 N LYS A 81 15.070 -3.769 1.214 1.00 0.00 N ATOM 1235 CA LYS A 81 14.984 -3.711 2.669 1.00 0.00 C ATOM 1236 C LYS A 81 16.109 -2.857 3.246 1.00 0.00 C ATOM 1237 O LYS A 81 15.884 -2.030 4.130 1.00 0.00 O ATOM 1238 CB LYS A 81 15.045 -5.121 3.260 1.00 0.00 C ATOM 1239 CG LYS A 81 15.176 -5.141 4.773 1.00 0.00 C ATOM 1240 CD LYS A 81 15.865 -6.406 5.257 1.00 0.00 C ATOM 1241 CE LYS A 81 15.788 -6.539 6.770 1.00 0.00 C ATOM 1242 NZ LYS A 81 16.879 -5.786 7.449 1.00 0.00 N ATOM 0 H LYS A 81 14.882 -4.690 0.817 1.00 0.00 H new ATOM 0 HA LYS A 81 14.031 -3.253 2.935 1.00 0.00 H new ATOM 0 HB2 LYS A 81 14.145 -5.665 2.974 1.00 0.00 H new ATOM 0 HB3 LYS A 81 15.890 -5.653 2.823 1.00 0.00 H new ATOM 0 HG2 LYS A 81 15.742 -4.269 5.102 1.00 0.00 H new ATOM 0 HG3 LYS A 81 14.187 -5.068 5.226 1.00 0.00 H new ATOM 0 HD2 LYS A 81 15.402 -7.275 4.790 1.00 0.00 H new ATOM 0 HD3 LYS A 81 16.909 -6.395 4.944 1.00 0.00 H new ATOM 0 HE2 LYS A 81 14.822 -6.172 7.118 1.00 0.00 H new ATOM 0 HE3 LYS A 81 15.847 -7.592 7.046 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 16.963 -6.109 8.434 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 17.777 -5.953 6.952 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 16.659 -4.770 7.436 1.00 0.00 H new ATOM 1256 N LYS A 82 17.321 -3.063 2.741 1.00 0.00 N ATOM 1257 CA LYS A 82 18.481 -2.311 3.204 1.00 0.00 C ATOM 1258 C LYS A 82 18.299 -0.818 2.949 1.00 0.00 C ATOM 1259 O LYS A 82 18.326 -0.011 3.878 1.00 0.00 O ATOM 1260 CB LYS A 82 19.749 -2.808 2.506 1.00 0.00 C ATOM 1261 CG LYS A 82 21.012 -2.606 3.324 1.00 0.00 C ATOM 1262 CD LYS A 82 22.260 -2.852 2.492 1.00 0.00 C ATOM 1263 CE LYS A 82 22.593 -1.652 1.618 1.00 0.00 C ATOM 1264 NZ LYS A 82 21.914 -1.725 0.295 1.00 0.00 N ATOM 0 H LYS A 82 17.525 -3.745 2.011 1.00 0.00 H new ATOM 0 HA LYS A 82 18.580 -2.469 4.278 1.00 0.00 H new ATOM 0 HB2 LYS A 82 19.638 -3.869 2.281 1.00 0.00 H new ATOM 0 HB3 LYS A 82 19.856 -2.289 1.553 1.00 0.00 H new ATOM 0 HG2 LYS A 82 21.032 -1.591 3.720 1.00 0.00 H new ATOM 0 HG3 LYS A 82 21.005 -3.282 4.179 1.00 0.00 H new ATOM 0 HD2 LYS A 82 23.101 -3.068 3.151 1.00 0.00 H new ATOM 0 HD3 LYS A 82 22.113 -3.731 1.864 1.00 0.00 H new ATOM 0 HE2 LYS A 82 22.295 -0.736 2.129 1.00 0.00 H new ATOM 0 HE3 LYS A 82 23.672 -1.598 1.470 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 22.599 -1.513 -0.459 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 21.529 -2.681 0.155 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 21.139 -1.032 0.264 1.00 0.00 H new ATOM 1278 N LYS A 83 18.113 -0.457 1.684 1.00 0.00 N ATOM 1279 CA LYS A 83 17.923 0.938 1.305 1.00 0.00 C ATOM 1280 C LYS A 83 16.863 1.600 2.179 1.00 0.00 C ATOM 1281 O LYS A 83 17.036 2.731 2.633 1.00 0.00 O ATOM 1282 CB LYS A 83 17.521 1.038 -0.168 1.00 0.00 C ATOM 1283 CG LYS A 83 18.524 0.406 -1.117 1.00 0.00 C ATOM 1284 CD LYS A 83 17.924 0.183 -2.495 1.00 0.00 C ATOM 1285 CE LYS A 83 18.750 -0.799 -3.311 1.00 0.00 C ATOM 1286 NZ LYS A 83 17.989 -1.334 -4.473 1.00 0.00 N ATOM 0 H LYS A 83 18.090 -1.112 0.903 1.00 0.00 H new ATOM 0 HA LYS A 83 18.868 1.460 1.453 1.00 0.00 H new ATOM 0 HB2 LYS A 83 16.552 0.558 -0.305 1.00 0.00 H new ATOM 0 HB3 LYS A 83 17.396 2.088 -0.431 1.00 0.00 H new ATOM 0 HG2 LYS A 83 19.401 1.047 -1.201 1.00 0.00 H new ATOM 0 HG3 LYS A 83 18.863 -0.546 -0.708 1.00 0.00 H new ATOM 0 HD2 LYS A 83 16.906 -0.193 -2.393 1.00 0.00 H new ATOM 0 HD3 LYS A 83 17.861 1.134 -3.024 1.00 0.00 H new ATOM 0 HE2 LYS A 83 19.655 -0.305 -3.666 1.00 0.00 H new ATOM 0 HE3 LYS A 83 19.067 -1.624 -2.673 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 18.587 -1.999 -5.003 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 17.139 -1.828 -4.134 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 17.709 -0.549 -5.095 1.00 0.00 H new ATOM 1300 N TYR A 84 15.767 0.887 2.413 1.00 0.00 N ATOM 1301 CA TYR A 84 14.678 1.406 3.232 1.00 0.00 C ATOM 1302 C TYR A 84 15.174 1.776 4.627 1.00 0.00 C ATOM 1303 O TYR A 84 15.073 2.928 5.048 1.00 0.00 O ATOM 1304 CB TYR A 84 13.554 0.374 3.336 1.00 0.00 C ATOM 1305 CG TYR A 84 12.310 0.900 4.018 1.00 0.00 C ATOM 1306 CD1 TYR A 84 11.713 2.083 3.600 1.00 0.00 C ATOM 1307 CD2 TYR A 84 11.733 0.214 5.080 1.00 0.00 C ATOM 1308 CE1 TYR A 84 10.578 2.567 4.220 1.00 0.00 C ATOM 1309 CE2 TYR A 84 10.597 0.691 5.705 1.00 0.00 C ATOM 1310 CZ TYR A 84 10.023 1.868 5.271 1.00 0.00 C ATOM 1311 OH TYR A 84 8.892 2.346 5.892 1.00 0.00 O ATOM 0 H TYR A 84 15.609 -0.052 2.047 1.00 0.00 H new ATOM 0 HA TYR A 84 14.293 2.306 2.752 1.00 0.00 H new ATOM 0 HB2 TYR A 84 13.292 0.032 2.335 1.00 0.00 H new ATOM 0 HB3 TYR A 84 13.919 -0.495 3.884 1.00 0.00 H new ATOM 0 HD1 TYR A 84 12.144 2.633 2.776 1.00 0.00 H new ATOM 0 HD2 TYR A 84 12.180 -0.707 5.422 1.00 0.00 H new ATOM 0 HE1 TYR A 84 10.127 3.489 3.883 1.00 0.00 H new ATOM 0 HE2 TYR A 84 10.161 0.146 6.529 1.00 0.00 H new ATOM 0 HH TYR A 84 8.117 2.216 5.306 1.00 0.00 H new ATOM 1321 N ASP A 85 15.711 0.790 5.338 1.00 0.00 N ATOM 1322 CA ASP A 85 16.225 1.011 6.684 1.00 0.00 C ATOM 1323 C ASP A 85 17.047 2.295 6.749 1.00 0.00 C ATOM 1324 O ASP A 85 17.015 3.015 7.747 1.00 0.00 O ATOM 1325 CB ASP A 85 17.079 -0.178 7.128 1.00 0.00 C ATOM 1326 CG ASP A 85 16.259 -1.258 7.807 1.00 0.00 C ATOM 1327 OD1 ASP A 85 15.200 -0.927 8.381 1.00 0.00 O ATOM 1328 OD2 ASP A 85 16.675 -2.434 7.762 1.00 0.00 O ATOM 0 H ASP A 85 15.801 -0.170 5.004 1.00 0.00 H new ATOM 0 HA ASP A 85 15.375 1.111 7.359 1.00 0.00 H new ATOM 0 HB2 ASP A 85 17.586 -0.602 6.261 1.00 0.00 H new ATOM 0 HB3 ASP A 85 17.854 0.170 7.811 1.00 0.00 H new ATOM 1333 N LEU A 86 17.782 2.575 5.678 1.00 0.00 N ATOM 1334 CA LEU A 86 18.613 3.772 5.613 1.00 0.00 C ATOM 1335 C LEU A 86 17.758 5.018 5.405 1.00 0.00 C ATOM 1336 O LEU A 86 17.799 5.951 6.206 1.00 0.00 O ATOM 1337 CB LEU A 86 19.635 3.646 4.482 1.00 0.00 C ATOM 1338 CG LEU A 86 20.732 2.599 4.682 1.00 0.00 C ATOM 1339 CD1 LEU A 86 21.470 2.343 3.377 1.00 0.00 C ATOM 1340 CD2 LEU A 86 21.701 3.042 5.767 1.00 0.00 C ATOM 0 H LEU A 86 17.819 1.990 4.843 1.00 0.00 H new ATOM 0 HA LEU A 86 19.140 3.870 6.562 1.00 0.00 H new ATOM 0 HB2 LEU A 86 19.101 3.412 3.561 1.00 0.00 H new ATOM 0 HB3 LEU A 86 20.109 4.617 4.338 1.00 0.00 H new ATOM 0 HG LEU A 86 20.264 1.667 5.000 1.00 0.00 H new ATOM 0 HD11 LEU A 86 22.247 1.596 3.539 1.00 0.00 H new ATOM 0 HD12 LEU A 86 20.767 1.980 2.627 1.00 0.00 H new ATOM 0 HD13 LEU A 86 21.926 3.270 3.029 1.00 0.00 H new ATOM 0 HD21 LEU A 86 22.474 2.285 5.895 1.00 0.00 H new ATOM 0 HD22 LEU A 86 22.162 3.987 5.479 1.00 0.00 H new ATOM 0 HD23 LEU A 86 21.162 3.173 6.705 1.00 0.00 H new ATOM 1352 N GLN A 87 16.984 5.024 4.324 1.00 0.00 N ATOM 1353 CA GLN A 87 16.118 6.155 4.012 1.00 0.00 C ATOM 1354 C GLN A 87 15.301 6.568 5.232 1.00 0.00 C ATOM 1355 O GLN A 87 15.122 7.757 5.498 1.00 0.00 O ATOM 1356 CB GLN A 87 15.184 5.805 2.853 1.00 0.00 C ATOM 1357 CG GLN A 87 15.822 5.982 1.484 1.00 0.00 C ATOM 1358 CD GLN A 87 16.236 7.415 1.213 1.00 0.00 C ATOM 1359 OE1 GLN A 87 17.392 7.688 0.886 1.00 0.00 O ATOM 1360 NE2 GLN A 87 15.293 8.339 1.348 1.00 0.00 N ATOM 0 H GLN A 87 16.939 4.259 3.650 1.00 0.00 H new ATOM 0 HA GLN A 87 16.750 6.994 3.720 1.00 0.00 H new ATOM 0 HB2 GLN A 87 14.856 4.771 2.961 1.00 0.00 H new ATOM 0 HB3 GLN A 87 14.293 6.430 2.913 1.00 0.00 H new ATOM 0 HG2 GLN A 87 16.696 5.335 1.408 1.00 0.00 H new ATOM 0 HG3 GLN A 87 15.119 5.659 0.716 1.00 0.00 H new ATOM 0 HE21 GLN A 87 14.348 8.068 1.621 1.00 0.00 H new ATOM 0 HE22 GLN A 87 15.513 9.321 1.179 1.00 0.00 H new ATOM 1369 N ARG A 88 14.807 5.579 5.969 1.00 0.00 N ATOM 1370 CA ARG A 88 14.007 5.840 7.160 1.00 0.00 C ATOM 1371 C ARG A 88 14.542 7.050 7.920 1.00 0.00 C ATOM 1372 O ARG A 88 13.825 8.028 8.133 1.00 0.00 O ATOM 1373 CB ARG A 88 14.000 4.613 8.074 1.00 0.00 C ATOM 1374 CG ARG A 88 13.013 3.539 7.644 1.00 0.00 C ATOM 1375 CD ARG A 88 12.620 2.645 8.810 1.00 0.00 C ATOM 1376 NE ARG A 88 11.875 3.375 9.832 1.00 0.00 N ATOM 1377 CZ ARG A 88 11.702 2.932 11.072 1.00 0.00 C ATOM 1378 NH1 ARG A 88 12.219 1.768 11.442 1.00 0.00 N ATOM 1379 NH2 ARG A 88 11.011 3.653 11.946 1.00 0.00 N ATOM 0 H ARG A 88 14.946 4.590 5.763 1.00 0.00 H new ATOM 0 HA ARG A 88 12.987 6.054 6.842 1.00 0.00 H new ATOM 0 HB2 ARG A 88 15.002 4.184 8.100 1.00 0.00 H new ATOM 0 HB3 ARG A 88 13.761 4.928 9.090 1.00 0.00 H new ATOM 0 HG2 ARG A 88 12.122 4.008 7.227 1.00 0.00 H new ATOM 0 HG3 ARG A 88 13.454 2.933 6.852 1.00 0.00 H new ATOM 0 HD2 ARG A 88 12.015 1.816 8.443 1.00 0.00 H new ATOM 0 HD3 ARG A 88 13.517 2.213 9.254 1.00 0.00 H new ATOM 0 HE ARG A 88 11.465 4.274 9.580 1.00 0.00 H new ATOM 0 HH11 ARG A 88 12.751 1.211 10.774 1.00 0.00 H new ATOM 0 HH12 ARG A 88 12.085 1.430 12.395 1.00 0.00 H new ATOM 0 HH21 ARG A 88 10.612 4.549 11.666 1.00 0.00 H new ATOM 0 HH22 ARG A 88 10.879 3.311 12.898 1.00 0.00 H new