USER MOD reduce.3.24.130724 H: found=0, std=0, add=608, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 610 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 15 ASN : amide:sc= -0.626 X(o=0.33,f=0.21) USER MOD Set 1.2: A 19 ASN : amide:sc= 0.961 K(o=0.33,f=-0.18) USER MOD Single : A 14 SER OG : rot 180:sc= -2.39! USER MOD Single : A 16 GLN : amide:sc= 0 X(o=0,f=-0.074) USER MOD Single : A 22 THR OG1 : rot 84:sc= 0.987 USER MOD Single : A 36 SER OG : rot 7:sc= 0.664 USER MOD Single : A 38 LYS NZ :NH3+ -115:sc= -0.0259 (180deg=-0.298) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 ASN : amide:sc= -1 K(o=-1,f=-2.1) USER MOD Single : A 44 TYR OH : rot 180:sc= -0.605 USER MOD Single : A 49 LYS NZ :NH3+ 145:sc= 0 (180deg=-0.177) USER MOD Single : A 50 GLN : amide:sc= -0.0217 X(o=-0.022,f=-0.053) USER MOD Single : A 51 LYS NZ :NH3+ -152:sc= -0.0063 (180deg=-0.98) USER MOD Single : A 52 SER OG : rot 180:sc= 0 USER MOD Single : A 54 SER OG : rot 180:sc= -0.317 USER MOD Single : A 60 SER OG : rot 180:sc= 0 USER MOD Single : A 62 MET CE :methyl -109:sc= -0.0612 (180deg=-0.761) USER MOD Single : A 63 ASN : amide:sc= -0.393 K(o=-0.39,f=-1.2) USER MOD Single : A 67 SER OG : rot 180:sc= 0 USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 ASN : amide:sc= 0.19 X(o=0.19,f=0) USER MOD Single : A 76 THR OG1 : rot 180:sc= -0.118 USER MOD Single : A 78 SER OG : rot 138:sc= 0.46 USER MOD Single : A 80 TYR OH : rot 180:sc= 0 USER MOD Single : A 81 GLN : amide:sc= -3.23! C(o=-3.2!,f=-4.8!) USER MOD Single : A 82 SER OG : rot 180:sc= 0 USER MOD Single : A 83 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 84 LYS NZ :NH3+ 167:sc=-0.000442 (180deg=-0.226) USER MOD Single : A 86 LYS NZ :NH3+ 171:sc= 0 (180deg=-0.0411) USER MOD Single : A 89 THR OG1 : rot 113:sc= 1.24 USER MOD Single : A 90 SER OG : rot 180:sc= 0 USER MOD Single : A 92 SER OG : rot -76:sc= 1.28 USER MOD ----------------------------------------------------------------- ATOM 194 N ARG A 13 10.105 -4.778 8.721 1.00 62.53 N ATOM 195 CA ARG A 13 8.903 -3.954 8.683 1.00 32.42 C ATOM 196 C ARG A 13 8.745 -3.285 7.321 1.00 62.11 C ATOM 197 O ARG A 13 7.630 -3.115 6.827 1.00 15.35 O ATOM 198 CB ARG A 13 8.952 -2.892 9.783 1.00 51.14 C ATOM 199 CG ARG A 13 9.125 -3.467 11.178 1.00 21.45 C ATOM 200 CD ARG A 13 7.797 -3.926 11.761 1.00 63.15 C ATOM 201 NE ARG A 13 7.980 -4.850 12.877 1.00 63.11 N ATOM 202 CZ ARG A 13 6.998 -5.222 13.691 1.00 3.54 C ATOM 203 NH1 ARG A 13 5.771 -4.750 13.514 1.00 62.33 N ATOM 204 NH2 ARG A 13 7.242 -6.066 14.685 1.00 22.11 N ATOM 0 HA ARG A 13 8.043 -4.602 8.852 1.00 32.42 H new ATOM 0 HB2 ARG A 13 9.774 -2.206 9.578 1.00 51.14 H new ATOM 0 HB3 ARG A 13 8.033 -2.307 9.752 1.00 51.14 H new ATOM 0 HG2 ARG A 13 9.818 -4.308 11.143 1.00 21.45 H new ATOM 0 HG3 ARG A 13 9.569 -2.715 11.830 1.00 21.45 H new ATOM 0 HD2 ARG A 13 7.230 -3.058 12.098 1.00 63.15 H new ATOM 0 HD3 ARG A 13 7.207 -4.410 10.983 1.00 63.15 H new ATOM 0 HE ARG A 13 8.912 -5.230 13.040 1.00 63.11 H new ATOM 0 HH11 ARG A 13 5.580 -4.100 12.752 1.00 62.33 H new ATOM 0 HH12 ARG A 13 5.019 -5.037 14.140 1.00 62.33 H new ATOM 0 HH21 ARG A 13 8.184 -6.430 14.825 1.00 22.11 H new ATOM 0 HH22 ARG A 13 6.487 -6.351 15.309 1.00 22.11 H new ATOM 218 N SER A 14 9.868 -2.909 6.718 1.00 25.11 N ATOM 219 CA SER A 14 9.855 -2.255 5.415 1.00 53.12 C ATOM 220 C SER A 14 9.321 -3.196 4.340 1.00 24.40 C ATOM 221 O SER A 14 8.465 -2.821 3.541 1.00 73.42 O ATOM 222 CB SER A 14 11.261 -1.782 5.044 1.00 40.12 C ATOM 223 OG SER A 14 11.700 -0.752 5.913 1.00 61.13 O ATOM 0 H SER A 14 10.799 -3.046 7.111 1.00 25.11 H new ATOM 0 HA SER A 14 9.194 -1.391 5.476 1.00 53.12 H new ATOM 0 HB2 SER A 14 11.954 -2.622 5.091 1.00 40.12 H new ATOM 0 HB3 SER A 14 11.267 -1.421 4.016 1.00 40.12 H new ATOM 0 HG SER A 14 12.602 -0.469 5.655 1.00 61.13 H new ATOM 229 N ASN A 15 9.836 -4.422 4.328 1.00 52.43 N ATOM 230 CA ASN A 15 9.413 -5.419 3.351 1.00 1.30 C ATOM 231 C ASN A 15 8.002 -5.912 3.653 1.00 73.40 C ATOM 232 O ASN A 15 7.314 -6.433 2.774 1.00 5.52 O ATOM 233 CB ASN A 15 10.387 -6.599 3.342 1.00 54.55 C ATOM 234 CG ASN A 15 9.791 -7.835 2.694 1.00 41.51 C ATOM 235 OD1 ASN A 15 9.953 -8.058 1.494 1.00 75.31 O ATOM 236 ND2 ASN A 15 9.098 -8.642 3.487 1.00 24.10 N ATOM 0 H ASN A 15 10.546 -4.748 4.983 1.00 52.43 H new ATOM 0 HA ASN A 15 9.412 -4.950 2.367 1.00 1.30 H new ATOM 0 HB2 ASN A 15 11.294 -6.314 2.809 1.00 54.55 H new ATOM 0 HB3 ASN A 15 10.679 -6.834 4.366 1.00 54.55 H new ATOM 0 HD21 ASN A 15 8.673 -9.488 3.108 1.00 24.10 H new ATOM 0 HD22 ASN A 15 8.990 -8.416 4.476 1.00 24.10 H new ATOM 243 N GLN A 16 7.576 -5.744 4.901 1.00 11.22 N ATOM 244 CA GLN A 16 6.247 -6.171 5.319 1.00 32.21 C ATOM 245 C GLN A 16 5.167 -5.468 4.503 1.00 74.31 C ATOM 246 O GLN A 16 4.354 -6.115 3.843 1.00 1.24 O ATOM 247 CB GLN A 16 6.042 -5.890 6.809 1.00 55.01 C ATOM 248 CG GLN A 16 4.704 -6.377 7.341 1.00 24.54 C ATOM 249 CD GLN A 16 4.813 -7.704 8.066 1.00 41.25 C ATOM 250 OE1 GLN A 16 5.219 -8.710 7.484 1.00 74.32 O ATOM 251 NE2 GLN A 16 4.451 -7.713 9.343 1.00 72.41 N ATOM 0 H GLN A 16 8.133 -5.315 5.640 1.00 11.22 H new ATOM 0 HA GLN A 16 6.167 -7.244 5.145 1.00 32.21 H new ATOM 0 HB2 GLN A 16 6.843 -6.366 7.374 1.00 55.01 H new ATOM 0 HB3 GLN A 16 6.124 -4.817 6.983 1.00 55.01 H new ATOM 0 HG2 GLN A 16 4.293 -5.629 8.019 1.00 24.54 H new ATOM 0 HG3 GLN A 16 4.002 -6.476 6.513 1.00 24.54 H new ATOM 0 HE21 GLN A 16 4.120 -6.855 9.785 1.00 72.41 H new ATOM 0 HE22 GLN A 16 4.504 -8.577 9.882 1.00 72.41 H new ATOM 260 N ALA A 17 5.164 -4.140 4.553 1.00 65.01 N ATOM 261 CA ALA A 17 4.186 -3.349 3.817 1.00 62.02 C ATOM 262 C ALA A 17 4.144 -3.756 2.348 1.00 31.24 C ATOM 263 O ALA A 17 3.069 -3.907 1.767 1.00 65.51 O ATOM 264 CB ALA A 17 4.501 -1.867 3.947 1.00 11.24 C ATOM 0 H ALA A 17 5.829 -3.589 5.096 1.00 65.01 H new ATOM 0 HA ALA A 17 3.203 -3.540 4.248 1.00 62.02 H new ATOM 0 HB1 ALA A 17 3.763 -1.288 3.392 1.00 11.24 H new ATOM 0 HB2 ALA A 17 4.472 -1.580 4.998 1.00 11.24 H new ATOM 0 HB3 ALA A 17 5.494 -1.669 3.544 1.00 11.24 H new ATOM 270 N GLU A 18 5.320 -3.931 1.754 1.00 53.13 N ATOM 271 CA GLU A 18 5.416 -4.319 0.351 1.00 32.31 C ATOM 272 C GLU A 18 4.576 -5.563 0.072 1.00 50.51 C ATOM 273 O GLU A 18 3.800 -5.599 -0.882 1.00 23.13 O ATOM 274 CB GLU A 18 6.875 -4.579 -0.031 1.00 34.22 C ATOM 275 CG GLU A 18 7.047 -5.120 -1.440 1.00 24.14 C ATOM 276 CD GLU A 18 8.478 -5.526 -1.737 1.00 71.11 C ATOM 277 OE1 GLU A 18 9.351 -4.634 -1.777 1.00 20.13 O ATOM 278 OE2 GLU A 18 8.725 -6.735 -1.931 1.00 30.12 O ATOM 0 H GLU A 18 6.219 -3.811 2.221 1.00 53.13 H new ATOM 0 HA GLU A 18 5.031 -3.498 -0.254 1.00 32.31 H new ATOM 0 HB2 GLU A 18 7.438 -3.650 0.064 1.00 34.22 H new ATOM 0 HB3 GLU A 18 7.307 -5.287 0.676 1.00 34.22 H new ATOM 0 HG2 GLU A 18 6.393 -5.981 -1.577 1.00 24.14 H new ATOM 0 HG3 GLU A 18 6.732 -4.362 -2.157 1.00 24.14 H new ATOM 285 N ASN A 19 4.740 -6.580 0.912 1.00 62.34 N ATOM 286 CA ASN A 19 3.999 -7.827 0.755 1.00 13.44 C ATOM 287 C ASN A 19 2.507 -7.603 0.978 1.00 74.15 C ATOM 288 O ASN A 19 1.672 -8.172 0.274 1.00 73.34 O ATOM 289 CB ASN A 19 4.520 -8.880 1.735 1.00 54.25 C ATOM 290 CG ASN A 19 5.785 -9.555 1.240 1.00 52.03 C ATOM 291 OD1 ASN A 19 5.742 -10.664 0.707 1.00 72.14 O ATOM 292 ND2 ASN A 19 6.919 -8.886 1.414 1.00 73.34 N ATOM 0 H ASN A 19 5.378 -6.565 1.707 1.00 62.34 H new ATOM 0 HA ASN A 19 4.147 -8.184 -0.264 1.00 13.44 H new ATOM 0 HB2 ASN A 19 4.716 -8.410 2.699 1.00 54.25 H new ATOM 0 HB3 ASN A 19 3.749 -9.633 1.898 1.00 54.25 H new ATOM 0 HD21 ASN A 19 7.802 -9.289 1.101 1.00 73.34 H new ATOM 0 HD22 ASN A 19 6.907 -7.969 1.861 1.00 73.34 H new ATOM 299 N ILE A 20 2.178 -6.772 1.960 1.00 31.15 N ATOM 300 CA ILE A 20 0.786 -6.473 2.274 1.00 43.41 C ATOM 301 C ILE A 20 0.072 -5.861 1.074 1.00 51.32 C ATOM 302 O ILE A 20 -0.954 -6.371 0.623 1.00 70.20 O ATOM 303 CB ILE A 20 0.673 -5.508 3.470 1.00 65.00 C ATOM 304 CG1 ILE A 20 1.325 -6.122 4.711 1.00 24.31 C ATOM 305 CG2 ILE A 20 -0.784 -5.171 3.743 1.00 14.44 C ATOM 306 CD1 ILE A 20 1.756 -5.098 5.737 1.00 40.42 C ATOM 0 H ILE A 20 2.856 -6.293 2.553 1.00 31.15 H new ATOM 0 HA ILE A 20 0.311 -7.419 2.534 1.00 43.41 H new ATOM 0 HB ILE A 20 1.199 -4.585 3.225 1.00 65.00 H new ATOM 0 HG12 ILE A 20 0.623 -6.815 5.174 1.00 24.31 H new ATOM 0 HG13 ILE A 20 2.194 -6.705 4.404 1.00 24.31 H new ATOM 0 HG21 ILE A 20 -0.847 -4.489 4.591 1.00 14.44 H new ATOM 0 HG22 ILE A 20 -1.219 -4.698 2.863 1.00 14.44 H new ATOM 0 HG23 ILE A 20 -1.332 -6.085 3.972 1.00 14.44 H new ATOM 0 HD11 ILE A 20 2.209 -5.605 6.589 1.00 40.42 H new ATOM 0 HD12 ILE A 20 2.482 -4.419 5.290 1.00 40.42 H new ATOM 0 HD13 ILE A 20 0.887 -4.531 6.072 1.00 40.42 H new ATOM 318 N ILE A 21 0.622 -4.766 0.560 1.00 74.20 N ATOM 319 CA ILE A 21 0.038 -4.087 -0.590 1.00 52.04 C ATOM 320 C ILE A 21 -0.233 -5.066 -1.728 1.00 52.32 C ATOM 321 O ILE A 21 -1.288 -5.023 -2.362 1.00 5.01 O ATOM 322 CB ILE A 21 0.955 -2.961 -1.104 1.00 20.13 C ATOM 323 CG1 ILE A 21 1.197 -1.928 -0.002 1.00 34.01 C ATOM 324 CG2 ILE A 21 0.345 -2.301 -2.332 1.00 42.35 C ATOM 325 CD1 ILE A 21 2.265 -0.913 -0.348 1.00 31.32 C ATOM 0 H ILE A 21 1.471 -4.330 0.921 1.00 74.20 H new ATOM 0 HA ILE A 21 -0.904 -3.653 -0.255 1.00 52.04 H new ATOM 0 HB ILE A 21 1.915 -3.394 -1.387 1.00 20.13 H new ATOM 0 HG12 ILE A 21 0.264 -1.405 0.205 1.00 34.01 H new ATOM 0 HG13 ILE A 21 1.482 -2.446 0.914 1.00 34.01 H new ATOM 0 HG21 ILE A 21 1.004 -1.507 -2.684 1.00 42.35 H new ATOM 0 HG22 ILE A 21 0.219 -3.044 -3.120 1.00 42.35 H new ATOM 0 HG23 ILE A 21 -0.626 -1.878 -2.073 1.00 42.35 H new ATOM 0 HD11 ILE A 21 2.383 -0.213 0.479 1.00 31.32 H new ATOM 0 HD12 ILE A 21 3.210 -1.426 -0.527 1.00 31.32 H new ATOM 0 HD13 ILE A 21 1.972 -0.369 -1.246 1.00 31.32 H new ATOM 337 N THR A 22 0.728 -5.949 -1.982 1.00 72.11 N ATOM 338 CA THR A 22 0.594 -6.940 -3.042 1.00 34.22 C ATOM 339 C THR A 22 -0.625 -7.827 -2.815 1.00 1.21 C ATOM 340 O THR A 22 -1.231 -8.321 -3.766 1.00 72.42 O ATOM 341 CB THR A 22 1.849 -7.828 -3.144 1.00 11.34 C ATOM 342 OG1 THR A 22 3.023 -7.043 -2.906 1.00 74.24 O ATOM 343 CG2 THR A 22 1.939 -8.483 -4.514 1.00 15.34 C ATOM 0 H THR A 22 1.608 -5.998 -1.468 1.00 72.11 H new ATOM 0 HA THR A 22 0.471 -6.390 -3.975 1.00 34.22 H new ATOM 0 HB THR A 22 1.776 -8.611 -2.390 1.00 11.34 H new ATOM 0 HG1 THR A 22 3.175 -6.966 -1.941 1.00 74.24 H new ATOM 0 HG21 THR A 22 2.833 -9.105 -4.562 1.00 15.34 H new ATOM 0 HG22 THR A 22 1.057 -9.102 -4.680 1.00 15.34 H new ATOM 0 HG23 THR A 22 1.991 -7.712 -5.283 1.00 15.34 H new ATOM 351 N ASP A 23 -0.980 -8.024 -1.550 1.00 70.24 N ATOM 352 CA ASP A 23 -2.128 -8.851 -1.198 1.00 10.12 C ATOM 353 C ASP A 23 -3.408 -8.295 -1.816 1.00 62.32 C ATOM 354 O ASP A 23 -3.992 -8.905 -2.713 1.00 34.14 O ATOM 355 CB ASP A 23 -2.276 -8.936 0.322 1.00 54.04 C ATOM 356 CG ASP A 23 -3.073 -10.148 0.759 1.00 62.42 C ATOM 357 OD1 ASP A 23 -4.165 -10.374 0.199 1.00 73.22 O ATOM 358 OD2 ASP A 23 -2.605 -10.872 1.663 1.00 64.44 O ATOM 0 H ASP A 23 -0.489 -7.622 -0.751 1.00 70.24 H new ATOM 0 HA ASP A 23 -1.959 -9.852 -1.595 1.00 10.12 H new ATOM 0 HB2 ASP A 23 -1.287 -8.971 0.779 1.00 54.04 H new ATOM 0 HB3 ASP A 23 -2.764 -8.033 0.688 1.00 54.04 H new ATOM 363 N LEU A 24 -3.838 -7.137 -1.331 1.00 13.30 N ATOM 364 CA LEU A 24 -5.049 -6.498 -1.834 1.00 51.04 C ATOM 365 C LEU A 24 -5.045 -6.449 -3.359 1.00 3.31 C ATOM 366 O LEU A 24 -6.091 -6.567 -3.998 1.00 32.31 O ATOM 367 CB LEU A 24 -5.177 -5.083 -1.267 1.00 72.30 C ATOM 368 CG LEU A 24 -5.390 -4.983 0.244 1.00 74.51 C ATOM 369 CD1 LEU A 24 -5.655 -3.542 0.651 1.00 11.51 C ATOM 370 CD2 LEU A 24 -6.538 -5.881 0.682 1.00 63.21 C ATOM 0 H LEU A 24 -3.366 -6.620 -0.589 1.00 13.30 H new ATOM 0 HA LEU A 24 -5.904 -7.091 -1.510 1.00 51.04 H new ATOM 0 HB2 LEU A 24 -4.276 -4.527 -1.524 1.00 72.30 H new ATOM 0 HB3 LEU A 24 -6.010 -4.587 -1.765 1.00 72.30 H new ATOM 0 HG LEU A 24 -4.481 -5.320 0.742 1.00 74.51 H new ATOM 0 HD11 LEU A 24 -5.804 -3.490 1.729 1.00 11.51 H new ATOM 0 HD12 LEU A 24 -4.802 -2.923 0.372 1.00 11.51 H new ATOM 0 HD13 LEU A 24 -6.549 -3.179 0.143 1.00 11.51 H new ATOM 0 HD21 LEU A 24 -6.675 -5.797 1.760 1.00 63.21 H new ATOM 0 HD22 LEU A 24 -7.453 -5.575 0.175 1.00 63.21 H new ATOM 0 HD23 LEU A 24 -6.309 -6.915 0.425 1.00 63.21 H new ATOM 382 N LEU A 25 -3.862 -6.275 -3.936 1.00 1.40 N ATOM 383 CA LEU A 25 -3.720 -6.212 -5.387 1.00 1.11 C ATOM 384 C LEU A 25 -4.298 -7.460 -6.046 1.00 0.23 C ATOM 385 O LEU A 25 -5.131 -7.370 -6.947 1.00 3.30 O ATOM 386 CB LEU A 25 -2.246 -6.055 -5.769 1.00 34.32 C ATOM 387 CG LEU A 25 -1.801 -4.646 -6.159 1.00 61.02 C ATOM 388 CD1 LEU A 25 -2.379 -4.258 -7.511 1.00 33.31 C ATOM 389 CD2 LEU A 25 -2.212 -3.642 -5.093 1.00 53.10 C ATOM 0 H LEU A 25 -2.987 -6.175 -3.422 1.00 1.40 H new ATOM 0 HA LEU A 25 -4.276 -5.345 -5.744 1.00 1.11 H new ATOM 0 HB2 LEU A 25 -1.636 -6.388 -4.929 1.00 34.32 H new ATOM 0 HB3 LEU A 25 -2.034 -6.725 -6.602 1.00 34.32 H new ATOM 0 HG LEU A 25 -0.714 -4.638 -6.236 1.00 61.02 H new ATOM 0 HD11 LEU A 25 -2.051 -3.252 -7.772 1.00 33.31 H new ATOM 0 HD12 LEU A 25 -2.033 -4.960 -8.270 1.00 33.31 H new ATOM 0 HD13 LEU A 25 -3.468 -4.284 -7.462 1.00 33.31 H new ATOM 0 HD21 LEU A 25 -1.887 -2.644 -5.388 1.00 53.10 H new ATOM 0 HD22 LEU A 25 -3.296 -3.652 -4.982 1.00 53.10 H new ATOM 0 HD23 LEU A 25 -1.748 -3.909 -4.144 1.00 53.10 H new ATOM 401 N ASP A 26 -3.852 -8.624 -5.587 1.00 63.53 N ATOM 402 CA ASP A 26 -4.328 -9.892 -6.129 1.00 24.44 C ATOM 403 C ASP A 26 -5.827 -10.052 -5.899 1.00 71.44 C ATOM 404 O ASP A 26 -6.556 -10.503 -6.784 1.00 50.33 O ATOM 405 CB ASP A 26 -3.574 -11.059 -5.490 1.00 23.43 C ATOM 406 CG ASP A 26 -3.914 -12.390 -6.132 1.00 13.00 C ATOM 407 OD1 ASP A 26 -5.041 -12.881 -5.918 1.00 34.54 O ATOM 408 OD2 ASP A 26 -3.052 -12.939 -6.850 1.00 51.14 O ATOM 0 H ASP A 26 -3.162 -8.716 -4.841 1.00 63.53 H new ATOM 0 HA ASP A 26 -4.141 -9.893 -7.203 1.00 24.44 H new ATOM 0 HB2 ASP A 26 -2.501 -10.883 -5.572 1.00 23.43 H new ATOM 0 HB3 ASP A 26 -3.810 -11.101 -4.427 1.00 23.43 H new ATOM 413 N ASP A 27 -6.281 -9.683 -4.707 1.00 51.10 N ATOM 414 CA ASP A 27 -7.694 -9.786 -4.361 1.00 61.24 C ATOM 415 C ASP A 27 -8.546 -8.931 -5.294 1.00 52.21 C ATOM 416 O ASP A 27 -9.559 -9.389 -5.822 1.00 74.21 O ATOM 417 CB ASP A 27 -7.918 -9.359 -2.910 1.00 13.44 C ATOM 418 CG ASP A 27 -7.474 -10.416 -1.920 1.00 31.41 C ATOM 419 OD1 ASP A 27 -6.573 -11.209 -2.263 1.00 12.31 O ATOM 420 OD2 ASP A 27 -8.028 -10.453 -0.801 1.00 73.33 O ATOM 0 H ASP A 27 -5.691 -9.310 -3.963 1.00 51.10 H new ATOM 0 HA ASP A 27 -7.996 -10.827 -4.476 1.00 61.24 H new ATOM 0 HB2 ASP A 27 -7.373 -8.434 -2.718 1.00 13.44 H new ATOM 0 HB3 ASP A 27 -8.975 -9.144 -2.757 1.00 13.44 H new ATOM 425 N LEU A 28 -8.128 -7.685 -5.491 1.00 74.44 N ATOM 426 CA LEU A 28 -8.853 -6.764 -6.360 1.00 52.22 C ATOM 427 C LEU A 28 -8.739 -7.189 -7.821 1.00 1.25 C ATOM 428 O LEU A 28 -9.590 -6.853 -8.645 1.00 11.43 O ATOM 429 CB LEU A 28 -8.317 -5.341 -6.189 1.00 23.10 C ATOM 430 CG LEU A 28 -9.173 -4.399 -5.341 1.00 73.14 C ATOM 431 CD1 LEU A 28 -8.519 -3.030 -5.239 1.00 61.31 C ATOM 432 CD2 LEU A 28 -10.573 -4.280 -5.926 1.00 23.13 C ATOM 0 H LEU A 28 -7.292 -7.290 -5.061 1.00 74.44 H new ATOM 0 HA LEU A 28 -9.905 -6.787 -6.075 1.00 52.22 H new ATOM 0 HB2 LEU A 28 -7.325 -5.399 -5.742 1.00 23.10 H new ATOM 0 HB3 LEU A 28 -8.196 -4.898 -7.178 1.00 23.10 H new ATOM 0 HG LEU A 28 -9.253 -4.816 -4.337 1.00 73.14 H new ATOM 0 HD11 LEU A 28 -9.142 -2.373 -4.632 1.00 61.31 H new ATOM 0 HD12 LEU A 28 -7.538 -3.129 -4.775 1.00 61.31 H new ATOM 0 HD13 LEU A 28 -8.408 -2.605 -6.236 1.00 61.31 H new ATOM 0 HD21 LEU A 28 -11.169 -3.606 -5.310 1.00 23.13 H new ATOM 0 HD22 LEU A 28 -10.511 -3.886 -6.940 1.00 23.13 H new ATOM 0 HD23 LEU A 28 -11.043 -5.263 -5.947 1.00 23.13 H new ATOM 552 N SER A 36 -8.999 1.929 -11.351 1.00 2.32 N ATOM 553 CA SER A 36 -7.822 2.791 -11.383 1.00 53.03 C ATOM 554 C SER A 36 -7.272 3.013 -9.978 1.00 34.44 C ATOM 555 O SER A 36 -6.304 3.750 -9.786 1.00 30.10 O ATOM 556 CB SER A 36 -8.166 4.135 -12.027 1.00 33.04 C ATOM 557 OG SER A 36 -9.298 4.021 -12.873 1.00 25.34 O ATOM 0 HA SER A 36 -7.056 2.296 -11.979 1.00 53.03 H new ATOM 0 HB2 SER A 36 -8.362 4.874 -11.250 1.00 33.04 H new ATOM 0 HB3 SER A 36 -7.313 4.495 -12.602 1.00 33.04 H new ATOM 0 HG SER A 36 -9.687 3.126 -12.780 1.00 25.34 H new ATOM 563 N LEU A 37 -7.896 2.371 -8.997 1.00 35.30 N ATOM 564 CA LEU A 37 -7.471 2.497 -7.607 1.00 73.20 C ATOM 565 C LEU A 37 -6.131 1.802 -7.382 1.00 52.32 C ATOM 566 O LEU A 37 -5.244 2.340 -6.720 1.00 70.41 O ATOM 567 CB LEU A 37 -8.528 1.904 -6.674 1.00 13.12 C ATOM 568 CG LEU A 37 -8.671 2.578 -5.308 1.00 51.04 C ATOM 569 CD1 LEU A 37 -7.317 2.692 -4.626 1.00 25.21 C ATOM 570 CD2 LEU A 37 -9.314 3.949 -5.454 1.00 1.10 C ATOM 0 H LEU A 37 -8.699 1.757 -9.138 1.00 35.30 H new ATOM 0 HA LEU A 37 -7.352 3.557 -7.384 1.00 73.20 H new ATOM 0 HB2 LEU A 37 -9.493 1.943 -7.179 1.00 13.12 H new ATOM 0 HB3 LEU A 37 -8.294 0.851 -6.515 1.00 13.12 H new ATOM 0 HG LEU A 37 -9.318 1.960 -4.685 1.00 51.04 H new ATOM 0 HD11 LEU A 37 -7.438 3.174 -3.656 1.00 25.21 H new ATOM 0 HD12 LEU A 37 -6.895 1.697 -4.487 1.00 25.21 H new ATOM 0 HD13 LEU A 37 -6.646 3.287 -5.246 1.00 25.21 H new ATOM 0 HD21 LEU A 37 -9.408 4.413 -4.472 1.00 1.10 H new ATOM 0 HD22 LEU A 37 -8.693 4.576 -6.094 1.00 1.10 H new ATOM 0 HD23 LEU A 37 -10.303 3.842 -5.900 1.00 1.10 H new ATOM 582 N LYS A 38 -5.991 0.605 -7.941 1.00 1.41 N ATOM 583 CA LYS A 38 -4.759 -0.163 -7.806 1.00 1.10 C ATOM 584 C LYS A 38 -3.547 0.678 -8.196 1.00 31.13 C ATOM 585 O LYS A 38 -2.447 0.477 -7.682 1.00 2.24 O ATOM 586 CB LYS A 38 -4.820 -1.421 -8.675 1.00 24.33 C ATOM 587 CG LYS A 38 -6.111 -2.206 -8.519 1.00 43.42 C ATOM 588 CD LYS A 38 -7.058 -1.957 -9.681 1.00 71.11 C ATOM 589 CE LYS A 38 -6.737 -2.858 -10.864 1.00 51.20 C ATOM 590 NZ LYS A 38 -5.998 -2.129 -11.931 1.00 41.21 N ATOM 0 H LYS A 38 -6.716 0.145 -8.492 1.00 1.41 H new ATOM 0 HA LYS A 38 -4.656 -0.455 -6.761 1.00 1.10 H new ATOM 0 HB2 LYS A 38 -4.702 -1.136 -9.720 1.00 24.33 H new ATOM 0 HB3 LYS A 38 -3.979 -2.067 -8.424 1.00 24.33 H new ATOM 0 HG2 LYS A 38 -5.885 -3.270 -8.454 1.00 43.42 H new ATOM 0 HG3 LYS A 38 -6.598 -1.926 -7.585 1.00 43.42 H new ATOM 0 HD2 LYS A 38 -8.085 -2.130 -9.359 1.00 71.11 H new ATOM 0 HD3 LYS A 38 -6.992 -0.913 -9.989 1.00 71.11 H new ATOM 0 HE2 LYS A 38 -6.142 -3.706 -10.524 1.00 51.20 H new ATOM 0 HE3 LYS A 38 -7.662 -3.262 -11.274 1.00 51.20 H new ATOM 0 HZ1 LYS A 38 -6.585 -2.080 -12.788 1.00 41.21 H new ATOM 0 HZ2 LYS A 38 -5.779 -1.166 -11.606 1.00 41.21 H new ATOM 0 HZ3 LYS A 38 -5.113 -2.631 -12.146 1.00 41.21 H new ATOM 604 N LYS A 39 -3.758 1.623 -9.106 1.00 42.34 N ATOM 605 CA LYS A 39 -2.684 2.497 -9.564 1.00 11.21 C ATOM 606 C LYS A 39 -1.970 3.146 -8.383 1.00 34.33 C ATOM 607 O LYS A 39 -0.755 3.343 -8.410 1.00 74.00 O ATOM 608 CB LYS A 39 -3.240 3.578 -10.493 1.00 54.22 C ATOM 609 CG LYS A 39 -3.643 4.853 -9.772 1.00 71.34 C ATOM 610 CD LYS A 39 -4.437 5.779 -10.678 1.00 22.01 C ATOM 611 CE LYS A 39 -3.584 6.305 -11.822 1.00 52.53 C ATOM 612 NZ LYS A 39 -3.144 7.709 -11.585 1.00 64.05 N ATOM 0 H LYS A 39 -4.663 1.803 -9.541 1.00 42.34 H new ATOM 0 HA LYS A 39 -1.964 1.890 -10.113 1.00 11.21 H new ATOM 0 HB2 LYS A 39 -2.490 3.818 -11.246 1.00 54.22 H new ATOM 0 HB3 LYS A 39 -4.106 3.180 -11.021 1.00 54.22 H new ATOM 0 HG2 LYS A 39 -4.239 4.603 -8.894 1.00 71.34 H new ATOM 0 HG3 LYS A 39 -2.751 5.368 -9.416 1.00 71.34 H new ATOM 0 HD2 LYS A 39 -5.298 5.246 -11.080 1.00 22.01 H new ATOM 0 HD3 LYS A 39 -4.823 6.616 -10.096 1.00 22.01 H new ATOM 0 HE2 LYS A 39 -2.710 5.666 -11.947 1.00 52.53 H new ATOM 0 HE3 LYS A 39 -4.151 6.254 -12.751 1.00 52.53 H new ATOM 0 HZ1 LYS A 39 -2.565 8.031 -12.387 1.00 64.05 H new ATOM 0 HZ2 LYS A 39 -3.978 8.323 -11.491 1.00 64.05 H new ATOM 0 HZ3 LYS A 39 -2.581 7.754 -10.712 1.00 64.05 H new ATOM 626 N VAL A 40 -2.733 3.476 -7.344 1.00 61.42 N ATOM 627 CA VAL A 40 -2.173 4.100 -6.152 1.00 43.31 C ATOM 628 C VAL A 40 -1.305 3.118 -5.374 1.00 5.13 C ATOM 629 O VAL A 40 -0.158 3.416 -5.038 1.00 51.53 O ATOM 630 CB VAL A 40 -3.281 4.635 -5.225 1.00 73.14 C ATOM 631 CG1 VAL A 40 -2.708 5.005 -3.866 1.00 63.41 C ATOM 632 CG2 VAL A 40 -3.977 5.828 -5.862 1.00 32.04 C ATOM 0 H VAL A 40 -3.740 3.321 -7.305 1.00 61.42 H new ATOM 0 HA VAL A 40 -1.559 4.934 -6.491 1.00 43.31 H new ATOM 0 HB VAL A 40 -4.020 3.847 -5.078 1.00 73.14 H new ATOM 0 HG11 VAL A 40 -3.505 5.381 -3.225 1.00 63.41 H new ATOM 0 HG12 VAL A 40 -2.259 4.123 -3.408 1.00 63.41 H new ATOM 0 HG13 VAL A 40 -1.948 5.776 -3.989 1.00 63.41 H new ATOM 0 HG21 VAL A 40 -4.757 6.194 -5.194 1.00 32.04 H new ATOM 0 HG22 VAL A 40 -3.250 6.621 -6.040 1.00 32.04 H new ATOM 0 HG23 VAL A 40 -4.423 5.526 -6.809 1.00 32.04 H new ATOM 642 N LEU A 41 -1.859 1.944 -5.088 1.00 53.34 N ATOM 643 CA LEU A 41 -1.136 0.915 -4.349 1.00 52.44 C ATOM 644 C LEU A 41 0.116 0.480 -5.105 1.00 15.44 C ATOM 645 O LEU A 41 1.218 0.493 -4.558 1.00 51.54 O ATOM 646 CB LEU A 41 -2.041 -0.292 -4.099 1.00 25.12 C ATOM 647 CG LEU A 41 -3.475 0.021 -3.673 1.00 54.01 C ATOM 648 CD1 LEU A 41 -4.243 -1.264 -3.400 1.00 52.41 C ATOM 649 CD2 LEU A 41 -3.482 0.919 -2.445 1.00 14.14 C ATOM 0 H LEU A 41 -2.807 1.681 -5.357 1.00 53.34 H new ATOM 0 HA LEU A 41 -0.831 1.336 -3.391 1.00 52.44 H new ATOM 0 HB2 LEU A 41 -2.076 -0.889 -5.010 1.00 25.12 H new ATOM 0 HB3 LEU A 41 -1.582 -0.912 -3.329 1.00 25.12 H new ATOM 0 HG LEU A 41 -3.969 0.550 -4.488 1.00 54.01 H new ATOM 0 HD11 LEU A 41 -5.262 -1.022 -3.098 1.00 52.41 H new ATOM 0 HD12 LEU A 41 -4.268 -1.872 -4.304 1.00 52.41 H new ATOM 0 HD13 LEU A 41 -3.750 -1.820 -2.602 1.00 52.41 H new ATOM 0 HD21 LEU A 41 -4.511 1.132 -2.156 1.00 14.14 H new ATOM 0 HD22 LEU A 41 -2.971 0.417 -1.624 1.00 14.14 H new ATOM 0 HD23 LEU A 41 -2.969 1.853 -2.674 1.00 14.14 H new ATOM 661 N GLU A 42 -0.064 0.097 -6.365 1.00 41.54 N ATOM 662 CA GLU A 42 1.052 -0.340 -7.196 1.00 33.32 C ATOM 663 C GLU A 42 2.137 0.731 -7.259 1.00 24.24 C ATOM 664 O GLU A 42 3.296 0.474 -6.934 1.00 14.14 O ATOM 665 CB GLU A 42 0.566 -0.672 -8.609 1.00 14.04 C ATOM 666 CG GLU A 42 -0.088 -2.039 -8.722 1.00 51.13 C ATOM 667 CD GLU A 42 0.397 -2.819 -9.928 1.00 44.32 C ATOM 668 OE1 GLU A 42 1.620 -3.056 -10.027 1.00 25.40 O ATOM 669 OE2 GLU A 42 -0.443 -3.193 -10.772 1.00 32.31 O ATOM 0 H GLU A 42 -0.971 0.080 -6.832 1.00 41.54 H new ATOM 0 HA GLU A 42 1.477 -1.237 -6.745 1.00 33.32 H new ATOM 0 HB2 GLU A 42 -0.146 0.089 -8.928 1.00 14.04 H new ATOM 0 HB3 GLU A 42 1.411 -0.625 -9.295 1.00 14.04 H new ATOM 0 HG2 GLU A 42 0.117 -2.612 -7.817 1.00 51.13 H new ATOM 0 HG3 GLU A 42 -1.169 -1.916 -8.784 1.00 51.13 H new ATOM 676 N ASN A 43 1.752 1.931 -7.677 1.00 53.33 N ATOM 677 CA ASN A 43 2.691 3.041 -7.784 1.00 4.43 C ATOM 678 C ASN A 43 3.472 3.219 -6.485 1.00 51.10 C ATOM 679 O ASN A 43 4.686 3.016 -6.445 1.00 61.33 O ATOM 680 CB ASN A 43 1.948 4.335 -8.126 1.00 2.00 C ATOM 681 CG ASN A 43 1.546 4.401 -9.586 1.00 21.51 C ATOM 682 OD1 ASN A 43 1.696 3.430 -10.328 1.00 65.32 O ATOM 683 ND2 ASN A 43 1.030 5.551 -10.006 1.00 60.51 N ATOM 0 H ASN A 43 0.796 2.160 -7.947 1.00 53.33 H new ATOM 0 HA ASN A 43 3.395 2.812 -8.584 1.00 4.43 H new ATOM 0 HB2 ASN A 43 1.057 4.415 -7.503 1.00 2.00 H new ATOM 0 HB3 ASN A 43 2.582 5.189 -7.887 1.00 2.00 H new ATOM 0 HD21 ASN A 43 0.740 5.655 -10.978 1.00 60.51 H new ATOM 0 HD22 ASN A 43 0.924 6.330 -9.356 1.00 60.51 H new ATOM 690 N TYR A 44 2.768 3.599 -5.425 1.00 0.32 N ATOM 691 CA TYR A 44 3.395 3.806 -4.125 1.00 31.44 C ATOM 692 C TYR A 44 4.234 2.596 -3.725 1.00 70.12 C ATOM 693 O TYR A 44 5.341 2.737 -3.203 1.00 15.32 O ATOM 694 CB TYR A 44 2.331 4.077 -3.059 1.00 53.31 C ATOM 695 CG TYR A 44 1.896 5.524 -2.993 1.00 74.52 C ATOM 696 CD1 TYR A 44 2.821 6.539 -2.780 1.00 52.02 C ATOM 697 CD2 TYR A 44 0.559 5.875 -3.141 1.00 45.14 C ATOM 698 CE1 TYR A 44 2.427 7.861 -2.718 1.00 10.41 C ATOM 699 CE2 TYR A 44 0.157 7.195 -3.082 1.00 23.14 C ATOM 700 CZ TYR A 44 1.095 8.184 -2.870 1.00 13.24 C ATOM 701 OH TYR A 44 0.698 9.501 -2.809 1.00 31.33 O ATOM 0 H TYR A 44 1.763 3.770 -5.440 1.00 0.32 H new ATOM 0 HA TYR A 44 4.052 4.672 -4.202 1.00 31.44 H new ATOM 0 HB2 TYR A 44 1.460 3.453 -3.260 1.00 53.31 H new ATOM 0 HB3 TYR A 44 2.719 3.778 -2.085 1.00 53.31 H new ATOM 0 HD1 TYR A 44 3.865 6.290 -2.661 1.00 52.02 H new ATOM 0 HD2 TYR A 44 -0.178 5.102 -3.305 1.00 45.14 H new ATOM 0 HE1 TYR A 44 3.158 8.638 -2.551 1.00 10.41 H new ATOM 0 HE2 TYR A 44 -0.885 7.451 -3.201 1.00 23.14 H new ATOM 0 HH TYR A 44 -0.272 9.556 -2.936 1.00 31.33 H new ATOM 711 N LEU A 45 3.699 1.405 -3.976 1.00 3.43 N ATOM 712 CA LEU A 45 4.398 0.168 -3.644 1.00 31.13 C ATOM 713 C LEU A 45 5.771 0.124 -4.305 1.00 61.04 C ATOM 714 O LEU A 45 6.752 -0.297 -3.693 1.00 73.21 O ATOM 715 CB LEU A 45 3.569 -1.041 -4.081 1.00 74.02 C ATOM 716 CG LEU A 45 4.315 -2.374 -4.156 1.00 53.55 C ATOM 717 CD1 LEU A 45 4.751 -2.820 -2.770 1.00 51.13 C ATOM 718 CD2 LEU A 45 3.444 -3.436 -4.811 1.00 33.10 C ATOM 0 H LEU A 45 2.785 1.270 -4.408 1.00 3.43 H new ATOM 0 HA LEU A 45 4.535 0.135 -2.563 1.00 31.13 H new ATOM 0 HB2 LEU A 45 2.734 -1.153 -3.389 1.00 74.02 H new ATOM 0 HB3 LEU A 45 3.144 -0.830 -5.062 1.00 74.02 H new ATOM 0 HG LEU A 45 5.207 -2.236 -4.768 1.00 53.55 H new ATOM 0 HD11 LEU A 45 5.280 -3.770 -2.843 1.00 51.13 H new ATOM 0 HD12 LEU A 45 5.412 -2.069 -2.337 1.00 51.13 H new ATOM 0 HD13 LEU A 45 3.874 -2.941 -2.134 1.00 51.13 H new ATOM 0 HD21 LEU A 45 3.991 -4.378 -4.856 1.00 33.10 H new ATOM 0 HD22 LEU A 45 2.534 -3.572 -4.226 1.00 33.10 H new ATOM 0 HD23 LEU A 45 3.182 -3.120 -5.821 1.00 33.10 H new ATOM 730 N GLU A 46 5.833 0.564 -5.558 1.00 44.34 N ATOM 731 CA GLU A 46 7.089 0.576 -6.302 1.00 33.51 C ATOM 732 C GLU A 46 8.126 1.449 -5.604 1.00 15.44 C ATOM 733 O GLU A 46 9.325 1.189 -5.683 1.00 3.13 O ATOM 734 CB GLU A 46 6.857 1.078 -7.728 1.00 50.53 C ATOM 735 CG GLU A 46 8.135 1.229 -8.535 1.00 63.42 C ATOM 736 CD GLU A 46 8.774 2.594 -8.370 1.00 20.11 C ATOM 737 OE1 GLU A 46 8.205 3.428 -7.634 1.00 44.23 O ATOM 738 OE2 GLU A 46 9.841 2.827 -8.974 1.00 50.50 O ATOM 0 H GLU A 46 5.030 0.916 -6.079 1.00 44.34 H new ATOM 0 HA GLU A 46 7.469 -0.445 -6.342 1.00 33.51 H new ATOM 0 HB2 GLU A 46 6.191 0.386 -8.244 1.00 50.53 H new ATOM 0 HB3 GLU A 46 6.347 2.041 -7.687 1.00 50.53 H new ATOM 0 HG2 GLU A 46 8.845 0.461 -8.230 1.00 63.42 H new ATOM 0 HG3 GLU A 46 7.916 1.060 -9.589 1.00 63.42 H new ATOM 745 N GLU A 47 7.654 2.489 -4.922 1.00 60.31 N ATOM 746 CA GLU A 47 8.541 3.403 -4.212 1.00 25.43 C ATOM 747 C GLU A 47 9.355 2.660 -3.156 1.00 60.13 C ATOM 748 O GLU A 47 10.515 2.989 -2.905 1.00 12.32 O ATOM 749 CB GLU A 47 7.734 4.524 -3.553 1.00 63.22 C ATOM 750 CG GLU A 47 6.823 5.265 -4.518 1.00 61.22 C ATOM 751 CD GLU A 47 7.562 6.310 -5.331 1.00 10.00 C ATOM 752 OE1 GLU A 47 8.614 5.973 -5.913 1.00 13.54 O ATOM 753 OE2 GLU A 47 7.088 7.464 -5.385 1.00 41.23 O ATOM 0 H GLU A 47 6.663 2.719 -4.847 1.00 60.31 H new ATOM 0 HA GLU A 47 9.228 3.838 -4.937 1.00 25.43 H new ATOM 0 HB2 GLU A 47 7.131 4.102 -2.749 1.00 63.22 H new ATOM 0 HB3 GLU A 47 8.422 5.236 -3.096 1.00 63.22 H new ATOM 0 HG2 GLU A 47 6.355 4.548 -5.193 1.00 61.22 H new ATOM 0 HG3 GLU A 47 6.021 5.746 -3.958 1.00 61.22 H new ATOM 760 N LEU A 48 8.739 1.656 -2.541 1.00 21.21 N ATOM 761 CA LEU A 48 9.406 0.866 -1.512 1.00 33.34 C ATOM 762 C LEU A 48 10.657 0.193 -2.067 1.00 40.10 C ATOM 763 O LEU A 48 11.632 -0.021 -1.346 1.00 20.54 O ATOM 764 CB LEU A 48 8.450 -0.190 -0.953 1.00 31.31 C ATOM 765 CG LEU A 48 7.305 0.333 -0.086 1.00 3.12 C ATOM 766 CD1 LEU A 48 5.988 -0.306 -0.498 1.00 20.35 C ATOM 767 CD2 LEU A 48 7.590 0.072 1.386 1.00 20.45 C ATOM 0 H LEU A 48 7.780 1.370 -2.737 1.00 21.21 H new ATOM 0 HA LEU A 48 9.705 1.539 -0.708 1.00 33.34 H new ATOM 0 HB2 LEU A 48 8.022 -0.743 -1.789 1.00 31.31 H new ATOM 0 HB3 LEU A 48 9.030 -0.901 -0.364 1.00 31.31 H new ATOM 0 HG LEU A 48 7.224 1.410 -0.235 1.00 3.12 H new ATOM 0 HD11 LEU A 48 5.185 0.079 0.130 1.00 20.35 H new ATOM 0 HD12 LEU A 48 5.779 -0.068 -1.541 1.00 20.35 H new ATOM 0 HD13 LEU A 48 6.055 -1.387 -0.379 1.00 20.35 H new ATOM 0 HD21 LEU A 48 6.765 0.451 1.989 1.00 20.45 H new ATOM 0 HD22 LEU A 48 7.698 -1.000 1.551 1.00 20.45 H new ATOM 0 HD23 LEU A 48 8.512 0.578 1.673 1.00 20.45 H new ATOM 779 N LYS A 49 10.625 -0.135 -3.353 1.00 71.23 N ATOM 780 CA LYS A 49 11.756 -0.781 -4.008 1.00 2.22 C ATOM 781 C LYS A 49 12.874 0.222 -4.277 1.00 10.54 C ATOM 782 O LYS A 49 14.050 -0.138 -4.304 1.00 60.31 O ATOM 783 CB LYS A 49 11.312 -1.429 -5.321 1.00 22.43 C ATOM 784 CG LYS A 49 10.449 -2.663 -5.128 1.00 72.50 C ATOM 785 CD LYS A 49 9.010 -2.294 -4.805 1.00 21.14 C ATOM 786 CE LYS A 49 8.026 -3.192 -5.537 1.00 73.22 C ATOM 787 NZ LYS A 49 8.254 -4.631 -5.229 1.00 74.25 N ATOM 0 H LYS A 49 9.826 0.036 -3.964 1.00 71.23 H new ATOM 0 HA LYS A 49 12.136 -1.554 -3.340 1.00 2.22 H new ATOM 0 HB2 LYS A 49 10.758 -0.697 -5.909 1.00 22.43 H new ATOM 0 HB3 LYS A 49 12.195 -1.700 -5.900 1.00 22.43 H new ATOM 0 HG2 LYS A 49 10.475 -3.271 -6.032 1.00 72.50 H new ATOM 0 HG3 LYS A 49 10.859 -3.272 -4.322 1.00 72.50 H new ATOM 0 HD2 LYS A 49 8.846 -2.373 -3.730 1.00 21.14 H new ATOM 0 HD3 LYS A 49 8.829 -1.255 -5.080 1.00 21.14 H new ATOM 0 HE2 LYS A 49 7.008 -2.918 -5.259 1.00 73.22 H new ATOM 0 HE3 LYS A 49 8.118 -3.032 -6.611 1.00 73.22 H new ATOM 0 HZ1 LYS A 49 7.342 -5.130 -5.207 1.00 74.25 H new ATOM 0 HZ2 LYS A 49 8.861 -5.051 -5.962 1.00 74.25 H new ATOM 0 HZ3 LYS A 49 8.719 -4.718 -4.303 1.00 74.25 H new ATOM 801 N GLN A 50 12.497 1.482 -4.473 1.00 52.44 N ATOM 802 CA GLN A 50 13.469 2.537 -4.739 1.00 31.43 C ATOM 803 C GLN A 50 14.162 2.975 -3.453 1.00 15.03 C ATOM 804 O GLN A 50 13.610 2.839 -2.360 1.00 40.32 O ATOM 805 CB GLN A 50 12.784 3.735 -5.398 1.00 32.31 C ATOM 806 CG GLN A 50 11.888 3.358 -6.566 1.00 41.04 C ATOM 807 CD GLN A 50 12.548 2.374 -7.513 1.00 51.13 C ATOM 808 OE1 GLN A 50 13.602 2.657 -8.085 1.00 30.41 O ATOM 809 NE2 GLN A 50 11.931 1.211 -7.683 1.00 54.03 N ATOM 0 H GLN A 50 11.527 1.797 -4.453 1.00 52.44 H new ATOM 0 HA GLN A 50 14.223 2.140 -5.419 1.00 31.43 H new ATOM 0 HB2 GLN A 50 12.190 4.260 -4.650 1.00 32.31 H new ATOM 0 HB3 GLN A 50 13.546 4.432 -5.746 1.00 32.31 H new ATOM 0 HG2 GLN A 50 10.963 2.925 -6.185 1.00 41.04 H new ATOM 0 HG3 GLN A 50 11.616 4.259 -7.116 1.00 41.04 H new ATOM 0 HE21 GLN A 50 11.060 1.019 -7.189 1.00 54.03 H new ATOM 0 HE22 GLN A 50 12.328 0.509 -8.308 1.00 54.03 H new ATOM 818 N LYS A 51 15.374 3.501 -3.590 1.00 11.41 N ATOM 819 CA LYS A 51 16.143 3.961 -2.440 1.00 72.54 C ATOM 820 C LYS A 51 15.973 5.463 -2.237 1.00 0.25 C ATOM 821 O LYS A 51 16.693 6.078 -1.451 1.00 11.11 O ATOM 822 CB LYS A 51 17.624 3.625 -2.624 1.00 42.25 C ATOM 823 CG LYS A 51 18.200 4.118 -3.941 1.00 43.04 C ATOM 824 CD LYS A 51 19.720 4.135 -3.913 1.00 51.31 C ATOM 825 CE LYS A 51 20.302 2.808 -4.374 1.00 53.40 C ATOM 826 NZ LYS A 51 20.227 1.770 -3.310 1.00 73.12 N ATOM 0 H LYS A 51 15.845 3.619 -4.487 1.00 11.41 H new ATOM 0 HA LYS A 51 15.767 3.448 -1.555 1.00 72.54 H new ATOM 0 HB2 LYS A 51 18.192 4.062 -1.802 1.00 42.25 H new ATOM 0 HB3 LYS A 51 17.753 2.544 -2.562 1.00 42.25 H new ATOM 0 HG2 LYS A 51 17.857 3.476 -4.752 1.00 43.04 H new ATOM 0 HG3 LYS A 51 17.828 5.121 -4.149 1.00 43.04 H new ATOM 0 HD2 LYS A 51 20.088 4.937 -4.554 1.00 51.31 H new ATOM 0 HD3 LYS A 51 20.064 4.352 -2.902 1.00 51.31 H new ATOM 0 HE2 LYS A 51 19.764 2.463 -5.257 1.00 53.40 H new ATOM 0 HE3 LYS A 51 21.341 2.950 -4.670 1.00 53.40 H new ATOM 0 HZ1 LYS A 51 20.998 1.084 -3.439 1.00 73.12 H new ATOM 0 HZ2 LYS A 51 20.317 2.222 -2.378 1.00 73.12 H new ATOM 0 HZ3 LYS A 51 19.313 1.278 -3.369 1.00 73.12 H new ATOM 840 N SER A 52 15.014 6.047 -2.949 1.00 4.22 N ATOM 841 CA SER A 52 14.751 7.478 -2.848 1.00 61.15 C ATOM 842 C SER A 52 13.813 7.776 -1.683 1.00 3.15 C ATOM 843 O SER A 52 14.240 8.274 -0.640 1.00 71.13 O ATOM 844 CB SER A 52 14.144 7.999 -4.152 1.00 1.21 C ATOM 845 OG SER A 52 13.688 9.332 -4.005 1.00 13.43 O ATOM 0 H SER A 52 14.407 5.551 -3.602 1.00 4.22 H new ATOM 0 HA SER A 52 15.699 7.985 -2.668 1.00 61.15 H new ATOM 0 HB2 SER A 52 14.888 7.951 -4.948 1.00 1.21 H new ATOM 0 HB3 SER A 52 13.315 7.359 -4.452 1.00 1.21 H new ATOM 0 HG SER A 52 13.306 9.642 -4.852 1.00 13.43 H new ATOM 851 N ALA A 53 12.534 7.470 -1.866 1.00 72.05 N ATOM 852 CA ALA A 53 11.535 7.703 -0.831 1.00 24.22 C ATOM 853 C ALA A 53 11.664 6.684 0.297 1.00 41.55 C ATOM 854 O ALA A 53 11.879 5.497 0.051 1.00 71.24 O ATOM 855 CB ALA A 53 10.135 7.659 -1.427 1.00 62.12 C ATOM 0 H ALA A 53 12.164 7.059 -2.723 1.00 72.05 H new ATOM 0 HA ALA A 53 11.708 8.694 -0.412 1.00 24.22 H new ATOM 0 HB1 ALA A 53 9.400 7.835 -0.642 1.00 62.12 H new ATOM 0 HB2 ALA A 53 10.041 8.430 -2.192 1.00 62.12 H new ATOM 0 HB3 ALA A 53 9.961 6.681 -1.875 1.00 62.12 H new ATOM 861 N SER A 54 11.534 7.156 1.532 1.00 54.41 N ATOM 862 CA SER A 54 11.641 6.286 2.697 1.00 62.02 C ATOM 863 C SER A 54 10.381 5.442 2.863 1.00 13.11 C ATOM 864 O SER A 54 9.314 5.792 2.357 1.00 4.22 O ATOM 865 CB SER A 54 11.882 7.117 3.959 1.00 42.11 C ATOM 866 OG SER A 54 13.046 7.916 3.829 1.00 33.31 O ATOM 0 H SER A 54 11.354 8.136 1.752 1.00 54.41 H new ATOM 0 HA SER A 54 12.487 5.617 2.544 1.00 62.02 H new ATOM 0 HB2 SER A 54 11.019 7.755 4.149 1.00 42.11 H new ATOM 0 HB3 SER A 54 11.985 6.456 4.819 1.00 42.11 H new ATOM 0 HG SER A 54 13.177 8.439 4.648 1.00 33.31 H new ATOM 872 N VAL A 55 10.512 4.328 3.576 1.00 30.23 N ATOM 873 CA VAL A 55 9.385 3.433 3.811 1.00 55.12 C ATOM 874 C VAL A 55 8.187 4.194 4.369 1.00 74.32 C ATOM 875 O VAL A 55 7.095 4.186 3.799 1.00 43.53 O ATOM 876 CB VAL A 55 9.760 2.302 4.786 1.00 65.35 C ATOM 877 CG1 VAL A 55 8.546 1.866 5.591 1.00 62.20 C ATOM 878 CG2 VAL A 55 10.360 1.125 4.029 1.00 35.35 C ATOM 0 H VAL A 55 11.388 4.024 4.001 1.00 30.23 H new ATOM 0 HA VAL A 55 9.120 2.998 2.847 1.00 55.12 H new ATOM 0 HB VAL A 55 10.510 2.678 5.482 1.00 65.35 H new ATOM 0 HG11 VAL A 55 8.831 1.066 6.274 1.00 62.20 H new ATOM 0 HG12 VAL A 55 8.165 2.713 6.162 1.00 62.20 H new ATOM 0 HG13 VAL A 55 7.771 1.506 4.914 1.00 62.20 H new ATOM 0 HG21 VAL A 55 10.620 0.334 4.733 1.00 35.35 H new ATOM 0 HG22 VAL A 55 9.634 0.747 3.310 1.00 35.35 H new ATOM 0 HG23 VAL A 55 11.257 1.450 3.502 1.00 35.35 H new ATOM 888 N PRO A 56 8.393 4.867 5.510 1.00 21.33 N ATOM 889 CA PRO A 56 7.341 5.646 6.170 1.00 70.15 C ATOM 890 C PRO A 56 6.968 6.898 5.384 1.00 32.54 C ATOM 891 O PRO A 56 5.956 7.542 5.666 1.00 22.23 O ATOM 892 CB PRO A 56 7.971 6.024 7.513 1.00 14.14 C ATOM 893 CG PRO A 56 9.439 6.000 7.263 1.00 10.34 C ATOM 894 CD PRO A 56 9.669 4.919 6.244 1.00 34.13 C ATOM 0 HA PRO A 56 6.413 5.083 6.263 1.00 70.15 H new ATOM 0 HB2 PRO A 56 7.641 7.010 7.841 1.00 14.14 H new ATOM 0 HB3 PRO A 56 7.691 5.318 8.294 1.00 14.14 H new ATOM 0 HG2 PRO A 56 9.788 6.965 6.894 1.00 10.34 H new ATOM 0 HG3 PRO A 56 9.988 5.793 8.182 1.00 10.34 H new ATOM 0 HD2 PRO A 56 10.503 5.159 5.584 1.00 34.13 H new ATOM 0 HD3 PRO A 56 9.901 3.964 6.716 1.00 34.13 H new ATOM 902 N LEU A 57 7.789 7.238 4.397 1.00 21.25 N ATOM 903 CA LEU A 57 7.544 8.414 3.569 1.00 43.11 C ATOM 904 C LEU A 57 6.504 8.116 2.495 1.00 40.42 C ATOM 905 O LEU A 57 5.815 9.019 2.017 1.00 62.35 O ATOM 906 CB LEU A 57 8.847 8.884 2.918 1.00 21.21 C ATOM 907 CG LEU A 57 9.582 10.019 3.630 1.00 34.12 C ATOM 908 CD1 LEU A 57 10.878 10.353 2.907 1.00 13.12 C ATOM 909 CD2 LEU A 57 8.692 11.250 3.730 1.00 25.32 C ATOM 0 H LEU A 57 8.630 6.716 4.150 1.00 21.25 H new ATOM 0 HA LEU A 57 7.159 9.207 4.211 1.00 43.11 H new ATOM 0 HB2 LEU A 57 9.521 8.031 2.845 1.00 21.21 H new ATOM 0 HB3 LEU A 57 8.626 9.204 1.900 1.00 21.21 H new ATOM 0 HG LEU A 57 9.828 9.690 4.639 1.00 34.12 H new ATOM 0 HD11 LEU A 57 11.387 11.163 3.429 1.00 13.12 H new ATOM 0 HD12 LEU A 57 11.521 9.473 2.888 1.00 13.12 H new ATOM 0 HD13 LEU A 57 10.656 10.662 1.886 1.00 13.12 H new ATOM 0 HD21 LEU A 57 9.231 12.048 4.240 1.00 25.32 H new ATOM 0 HD22 LEU A 57 8.415 11.581 2.729 1.00 25.32 H new ATOM 0 HD23 LEU A 57 7.792 11.003 4.293 1.00 25.32 H new ATOM 921 N ILE A 58 6.394 6.846 2.120 1.00 1.35 N ATOM 922 CA ILE A 58 5.435 6.430 1.105 1.00 54.41 C ATOM 923 C ILE A 58 4.126 5.973 1.740 1.00 74.35 C ATOM 924 O ILE A 58 3.041 6.269 1.236 1.00 2.50 O ATOM 925 CB ILE A 58 5.996 5.290 0.234 1.00 10.22 C ATOM 926 CG1 ILE A 58 7.293 5.731 -0.448 1.00 23.33 C ATOM 927 CG2 ILE A 58 4.967 4.860 -0.801 1.00 23.30 C ATOM 928 CD1 ILE A 58 8.384 4.684 -0.404 1.00 60.44 C ATOM 0 H ILE A 58 6.957 6.087 2.504 1.00 1.35 H new ATOM 0 HA ILE A 58 5.246 7.299 0.474 1.00 54.41 H new ATOM 0 HB ILE A 58 6.217 4.437 0.875 1.00 10.22 H new ATOM 0 HG12 ILE A 58 7.081 5.980 -1.488 1.00 23.33 H new ATOM 0 HG13 ILE A 58 7.654 6.641 0.030 1.00 23.33 H new ATOM 0 HG21 ILE A 58 5.378 4.054 -1.409 1.00 23.30 H new ATOM 0 HG22 ILE A 58 4.067 4.511 -0.296 1.00 23.30 H new ATOM 0 HG23 ILE A 58 4.719 5.707 -1.441 1.00 23.30 H new ATOM 0 HD11 ILE A 58 9.274 5.064 -0.906 1.00 60.44 H new ATOM 0 HD12 ILE A 58 8.624 4.452 0.634 1.00 60.44 H new ATOM 0 HD13 ILE A 58 8.042 3.780 -0.908 1.00 60.44 H new ATOM 940 N LEU A 59 4.233 5.250 2.849 1.00 62.45 N ATOM 941 CA LEU A 59 3.058 4.752 3.554 1.00 20.14 C ATOM 942 C LEU A 59 2.144 5.901 3.966 1.00 20.44 C ATOM 943 O LEU A 59 0.920 5.774 3.938 1.00 30.33 O ATOM 944 CB LEU A 59 3.480 3.953 4.789 1.00 2.41 C ATOM 945 CG LEU A 59 4.186 2.624 4.519 1.00 62.01 C ATOM 946 CD1 LEU A 59 4.675 2.005 5.819 1.00 32.53 C ATOM 947 CD2 LEU A 59 3.259 1.666 3.786 1.00 21.23 C ATOM 0 H LEU A 59 5.122 4.996 3.279 1.00 62.45 H new ATOM 0 HA LEU A 59 2.508 4.099 2.877 1.00 20.14 H new ATOM 0 HB2 LEU A 59 4.140 4.576 5.392 1.00 2.41 H new ATOM 0 HB3 LEU A 59 2.592 3.755 5.390 1.00 2.41 H new ATOM 0 HG LEU A 59 5.051 2.817 3.885 1.00 62.01 H new ATOM 0 HD11 LEU A 59 5.175 1.060 5.607 1.00 32.53 H new ATOM 0 HD12 LEU A 59 5.375 2.685 6.305 1.00 32.53 H new ATOM 0 HD13 LEU A 59 3.826 1.826 6.479 1.00 32.53 H new ATOM 0 HD21 LEU A 59 3.779 0.726 3.603 1.00 21.23 H new ATOM 0 HD22 LEU A 59 2.374 1.479 4.394 1.00 21.23 H new ATOM 0 HD23 LEU A 59 2.959 2.106 2.835 1.00 21.23 H new ATOM 959 N SER A 60 2.746 7.022 4.348 1.00 14.32 N ATOM 960 CA SER A 60 1.986 8.194 4.767 1.00 3.51 C ATOM 961 C SER A 60 1.161 8.749 3.610 1.00 31.33 C ATOM 962 O SER A 60 -0.040 8.984 3.746 1.00 11.52 O ATOM 963 CB SER A 60 2.928 9.275 5.302 1.00 40.00 C ATOM 964 OG SER A 60 2.201 10.338 5.893 1.00 22.12 O ATOM 0 H SER A 60 3.758 7.144 4.376 1.00 14.32 H new ATOM 0 HA SER A 60 1.305 7.890 5.562 1.00 3.51 H new ATOM 0 HB2 SER A 60 3.605 8.840 6.037 1.00 40.00 H new ATOM 0 HB3 SER A 60 3.544 9.659 4.489 1.00 40.00 H new ATOM 0 HG SER A 60 2.825 11.015 6.228 1.00 22.12 H new ATOM 970 N ARG A 61 1.815 8.956 2.472 1.00 12.30 N ATOM 971 CA ARG A 61 1.144 9.485 1.291 1.00 34.12 C ATOM 972 C ARG A 61 0.137 8.479 0.741 1.00 22.22 C ATOM 973 O ARG A 61 -0.941 8.853 0.278 1.00 44.23 O ATOM 974 CB ARG A 61 2.168 9.839 0.211 1.00 62.11 C ATOM 975 CG ARG A 61 2.662 11.274 0.287 1.00 1.32 C ATOM 976 CD ARG A 61 3.544 11.496 1.506 1.00 0.14 C ATOM 977 NE ARG A 61 3.977 12.886 1.622 1.00 44.31 N ATOM 978 CZ ARG A 61 4.779 13.328 2.585 1.00 22.23 C ATOM 979 NH1 ARG A 61 5.232 12.493 3.511 1.00 73.21 N ATOM 980 NH2 ARG A 61 5.129 14.606 2.624 1.00 11.13 N ATOM 0 H ARG A 61 2.809 8.765 2.343 1.00 12.30 H new ATOM 0 HA ARG A 61 0.608 10.388 1.583 1.00 34.12 H new ATOM 0 HB2 ARG A 61 3.021 9.165 0.296 1.00 62.11 H new ATOM 0 HB3 ARG A 61 1.723 9.668 -0.769 1.00 62.11 H new ATOM 0 HG2 ARG A 61 3.221 11.516 -0.617 1.00 1.32 H new ATOM 0 HG3 ARG A 61 1.809 11.952 0.325 1.00 1.32 H new ATOM 0 HD2 ARG A 61 2.998 11.210 2.405 1.00 0.14 H new ATOM 0 HD3 ARG A 61 4.418 10.848 1.444 1.00 0.14 H new ATOM 0 HE ARG A 61 3.646 13.554 0.926 1.00 44.31 H new ATOM 0 HH11 ARG A 61 4.965 11.509 3.485 1.00 73.21 H new ATOM 0 HH12 ARG A 61 5.847 12.835 4.249 1.00 73.21 H new ATOM 0 HH21 ARG A 61 4.783 15.252 1.914 1.00 11.13 H new ATOM 0 HH22 ARG A 61 5.745 14.944 3.364 1.00 11.13 H new ATOM 994 N MET A 62 0.496 7.200 0.797 1.00 0.00 N ATOM 995 CA MET A 62 -0.377 6.139 0.305 1.00 0.51 C ATOM 996 C MET A 62 -1.770 6.254 0.917 1.00 51.32 C ATOM 997 O MET A 62 -2.757 6.436 0.205 1.00 64.30 O ATOM 998 CB MET A 62 0.222 4.769 0.625 1.00 74.11 C ATOM 999 CG MET A 62 -0.168 3.689 -0.372 1.00 44.31 C ATOM 1000 SD MET A 62 0.455 2.061 0.089 1.00 33.33 S ATOM 1001 CE MET A 62 -0.523 1.727 1.553 1.00 53.43 C ATOM 0 H MET A 62 1.384 6.873 1.178 1.00 0.00 H new ATOM 0 HA MET A 62 -0.465 6.246 -0.776 1.00 0.51 H new ATOM 0 HB2 MET A 62 1.308 4.853 0.651 1.00 74.11 H new ATOM 0 HB3 MET A 62 -0.098 4.465 1.622 1.00 74.11 H new ATOM 0 HG2 MET A 62 -1.254 3.649 -0.452 1.00 44.31 H new ATOM 0 HG3 MET A 62 0.214 3.954 -1.358 1.00 44.31 H new ATOM 0 HE1 MET A 62 0.114 1.781 2.436 1.00 53.43 H new ATOM 0 HE2 MET A 62 -1.320 2.466 1.635 1.00 53.43 H new ATOM 0 HE3 MET A 62 -0.958 0.730 1.480 1.00 53.43 H new ATOM 1011 N ASN A 63 -1.841 6.147 2.240 1.00 44.51 N ATOM 1012 CA ASN A 63 -3.113 6.238 2.946 1.00 52.20 C ATOM 1013 C ASN A 63 -3.847 7.526 2.584 1.00 42.54 C ATOM 1014 O ASN A 63 -5.063 7.527 2.388 1.00 45.43 O ATOM 1015 CB ASN A 63 -2.886 6.177 4.458 1.00 23.44 C ATOM 1016 CG ASN A 63 -1.904 5.090 4.852 1.00 75.54 C ATOM 1017 OD1 ASN A 63 -1.727 4.108 4.130 1.00 71.14 O ATOM 1018 ND2 ASN A 63 -1.263 5.260 6.001 1.00 43.21 N ATOM 0 H ASN A 63 -1.033 5.997 2.844 1.00 44.51 H new ATOM 0 HA ASN A 63 -3.729 5.392 2.642 1.00 52.20 H new ATOM 0 HB2 ASN A 63 -2.515 7.141 4.806 1.00 23.44 H new ATOM 0 HB3 ASN A 63 -3.838 6.002 4.959 1.00 23.44 H new ATOM 0 HD21 ASN A 63 -0.592 4.561 6.319 1.00 43.21 H new ATOM 0 HD22 ASN A 63 -1.442 6.090 6.567 1.00 43.21 H new ATOM 1025 N LEU A 64 -3.099 8.621 2.495 1.00 72.03 N ATOM 1026 CA LEU A 64 -3.677 9.917 2.154 1.00 31.50 C ATOM 1027 C LEU A 64 -4.265 9.897 0.747 1.00 51.04 C ATOM 1028 O LEU A 64 -5.107 10.728 0.404 1.00 71.14 O ATOM 1029 CB LEU A 64 -2.617 11.014 2.261 1.00 60.51 C ATOM 1030 CG LEU A 64 -2.049 11.266 3.658 1.00 31.44 C ATOM 1031 CD1 LEU A 64 -0.692 11.946 3.569 1.00 71.54 C ATOM 1032 CD2 LEU A 64 -3.015 12.104 4.482 1.00 53.30 C ATOM 0 H LEU A 64 -2.092 8.637 2.654 1.00 72.03 H new ATOM 0 HA LEU A 64 -4.480 10.127 2.860 1.00 31.50 H new ATOM 0 HB2 LEU A 64 -1.792 10.760 1.596 1.00 60.51 H new ATOM 0 HB3 LEU A 64 -3.048 11.945 1.893 1.00 60.51 H new ATOM 0 HG LEU A 64 -1.918 10.305 4.155 1.00 31.44 H new ATOM 0 HD11 LEU A 64 -0.304 12.117 4.573 1.00 71.54 H new ATOM 0 HD12 LEU A 64 -0.001 11.309 3.017 1.00 71.54 H new ATOM 0 HD13 LEU A 64 -0.796 12.900 3.053 1.00 71.54 H new ATOM 0 HD21 LEU A 64 -2.595 12.274 5.473 1.00 53.30 H new ATOM 0 HD22 LEU A 64 -3.178 13.062 3.988 1.00 53.30 H new ATOM 0 HD23 LEU A 64 -3.965 11.578 4.576 1.00 53.30 H new ATOM 1044 N ASP A 65 -3.818 8.943 -0.063 1.00 1.24 N ATOM 1045 CA ASP A 65 -4.303 8.814 -1.432 1.00 65.34 C ATOM 1046 C ASP A 65 -5.440 7.800 -1.513 1.00 43.20 C ATOM 1047 O ASP A 65 -6.439 8.026 -2.195 1.00 10.41 O ATOM 1048 CB ASP A 65 -3.163 8.395 -2.362 1.00 43.51 C ATOM 1049 CG ASP A 65 -3.320 8.956 -3.762 1.00 34.24 C ATOM 1050 OD1 ASP A 65 -4.464 9.276 -4.147 1.00 70.41 O ATOM 1051 OD2 ASP A 65 -2.300 9.078 -4.470 1.00 72.41 O ATOM 0 H ASP A 65 -3.121 8.248 0.205 1.00 1.24 H new ATOM 0 HA ASP A 65 -4.683 9.785 -1.749 1.00 65.34 H new ATOM 0 HB2 ASP A 65 -2.215 8.732 -1.943 1.00 43.51 H new ATOM 0 HB3 ASP A 65 -3.121 7.307 -2.413 1.00 43.51 H new ATOM 1056 N ILE A 66 -5.279 6.681 -0.813 1.00 45.41 N ATOM 1057 CA ILE A 66 -6.292 5.633 -0.805 1.00 44.44 C ATOM 1058 C ILE A 66 -7.570 6.109 -0.124 1.00 52.42 C ATOM 1059 O ILE A 66 -8.636 6.145 -0.739 1.00 42.10 O ATOM 1060 CB ILE A 66 -5.784 4.366 -0.093 1.00 62.41 C ATOM 1061 CG1 ILE A 66 -4.491 3.871 -0.744 1.00 22.02 C ATOM 1062 CG2 ILE A 66 -6.849 3.280 -0.124 1.00 23.32 C ATOM 1063 CD1 ILE A 66 -3.749 2.847 0.087 1.00 30.22 C ATOM 0 H ILE A 66 -4.457 6.478 -0.245 1.00 45.41 H new ATOM 0 HA ILE A 66 -6.507 5.393 -1.846 1.00 44.44 H new ATOM 0 HB ILE A 66 -5.572 4.612 0.948 1.00 62.41 H new ATOM 0 HG12 ILE A 66 -4.726 3.437 -1.716 1.00 22.02 H new ATOM 0 HG13 ILE A 66 -3.836 4.723 -0.926 1.00 22.02 H new ATOM 0 HG21 ILE A 66 -6.476 2.390 0.383 1.00 23.32 H new ATOM 0 HG22 ILE A 66 -7.747 3.636 0.381 1.00 23.32 H new ATOM 0 HG23 ILE A 66 -7.088 3.035 -1.159 1.00 23.32 H new ATOM 0 HD11 ILE A 66 -2.843 2.541 -0.436 1.00 30.22 H new ATOM 0 HD12 ILE A 66 -3.482 3.284 1.050 1.00 30.22 H new ATOM 0 HD13 ILE A 66 -4.386 1.977 0.247 1.00 30.22 H new ATOM 1075 N SER A 67 -7.455 6.475 1.148 1.00 30.22 N ATOM 1076 CA SER A 67 -8.603 6.947 1.914 1.00 41.32 C ATOM 1077 C SER A 67 -9.356 8.032 1.151 1.00 53.11 C ATOM 1078 O SER A 67 -10.575 7.961 0.988 1.00 44.45 O ATOM 1079 CB SER A 67 -8.150 7.485 3.273 1.00 45.50 C ATOM 1080 OG SER A 67 -9.222 7.500 4.199 1.00 3.23 O ATOM 0 H SER A 67 -6.579 6.454 1.670 1.00 30.22 H new ATOM 0 HA SER A 67 -9.275 6.104 2.071 1.00 41.32 H new ATOM 0 HB2 SER A 67 -7.340 6.867 3.660 1.00 45.50 H new ATOM 0 HB3 SER A 67 -7.754 8.493 3.155 1.00 45.50 H new ATOM 0 HG SER A 67 -8.906 7.846 5.060 1.00 3.23 H new ATOM 1086 N LYS A 68 -8.622 9.038 0.684 1.00 22.52 N ATOM 1087 CA LYS A 68 -9.217 10.138 -0.063 1.00 73.30 C ATOM 1088 C LYS A 68 -9.819 9.642 -1.374 1.00 33.04 C ATOM 1089 O LYS A 68 -10.813 10.185 -1.856 1.00 12.44 O ATOM 1090 CB LYS A 68 -8.168 11.216 -0.347 1.00 32.43 C ATOM 1091 CG LYS A 68 -7.577 11.137 -1.743 1.00 41.04 C ATOM 1092 CD LYS A 68 -6.407 12.093 -1.908 1.00 73.51 C ATOM 1093 CE LYS A 68 -6.803 13.325 -2.709 1.00 65.24 C ATOM 1094 NZ LYS A 68 -5.873 14.463 -2.470 1.00 61.34 N ATOM 0 H LYS A 68 -7.613 9.113 0.811 1.00 22.52 H new ATOM 0 HA LYS A 68 -10.014 10.567 0.544 1.00 73.30 H new ATOM 0 HB2 LYS A 68 -8.621 12.198 -0.209 1.00 32.43 H new ATOM 0 HB3 LYS A 68 -7.364 11.130 0.384 1.00 32.43 H new ATOM 0 HG2 LYS A 68 -7.246 10.118 -1.942 1.00 41.04 H new ATOM 0 HG3 LYS A 68 -8.346 11.372 -2.479 1.00 41.04 H new ATOM 0 HD2 LYS A 68 -6.043 12.397 -0.927 1.00 73.51 H new ATOM 0 HD3 LYS A 68 -5.585 11.581 -2.408 1.00 73.51 H new ATOM 0 HE2 LYS A 68 -6.812 13.080 -3.771 1.00 65.24 H new ATOM 0 HE3 LYS A 68 -7.817 13.622 -2.441 1.00 65.24 H new ATOM 0 HZ1 LYS A 68 -6.176 15.283 -3.033 1.00 61.34 H new ATOM 0 HZ2 LYS A 68 -5.883 14.713 -1.461 1.00 61.34 H new ATOM 0 HZ3 LYS A 68 -4.910 14.188 -2.749 1.00 61.34 H new ATOM 1108 N ALA A 69 -9.212 8.608 -1.945 1.00 2.13 N ATOM 1109 CA ALA A 69 -9.690 8.037 -3.198 1.00 14.01 C ATOM 1110 C ALA A 69 -11.047 7.365 -3.013 1.00 64.42 C ATOM 1111 O ALA A 69 -11.785 7.160 -3.976 1.00 52.13 O ATOM 1112 CB ALA A 69 -8.677 7.044 -3.747 1.00 32.42 C ATOM 0 H ALA A 69 -8.387 8.148 -1.560 1.00 2.13 H new ATOM 0 HA ALA A 69 -9.811 8.849 -3.915 1.00 14.01 H new ATOM 0 HB1 ALA A 69 -9.048 6.626 -4.683 1.00 32.42 H new ATOM 0 HB2 ALA A 69 -7.730 7.552 -3.927 1.00 32.42 H new ATOM 0 HB3 ALA A 69 -8.527 6.241 -3.025 1.00 32.42 H new ATOM 1118 N ILE A 70 -11.367 7.023 -1.769 1.00 11.43 N ATOM 1119 CA ILE A 70 -12.635 6.375 -1.459 1.00 33.02 C ATOM 1120 C ILE A 70 -13.813 7.289 -1.779 1.00 61.43 C ATOM 1121 O ILE A 70 -14.578 7.029 -2.709 1.00 62.22 O ATOM 1122 CB ILE A 70 -12.708 5.963 0.023 1.00 63.34 C ATOM 1123 CG1 ILE A 70 -11.465 5.161 0.414 1.00 31.52 C ATOM 1124 CG2 ILE A 70 -13.970 5.156 0.287 1.00 73.20 C ATOM 1125 CD1 ILE A 70 -11.500 4.646 1.836 1.00 41.41 C ATOM 0 H ILE A 70 -10.766 7.184 -0.961 1.00 11.43 H new ATOM 0 HA ILE A 70 -12.693 5.481 -2.080 1.00 33.02 H new ATOM 0 HB ILE A 70 -12.742 6.865 0.634 1.00 63.34 H new ATOM 0 HG12 ILE A 70 -11.358 4.317 -0.267 1.00 31.52 H new ATOM 0 HG13 ILE A 70 -10.583 5.788 0.285 1.00 31.52 H new ATOM 0 HG21 ILE A 70 -14.007 4.872 1.339 1.00 73.20 H new ATOM 0 HG22 ILE A 70 -14.845 5.758 0.043 1.00 73.20 H new ATOM 0 HG23 ILE A 70 -13.964 4.258 -0.331 1.00 73.20 H new ATOM 0 HD11 ILE A 70 -10.587 4.087 2.043 1.00 41.41 H new ATOM 0 HD12 ILE A 70 -11.575 5.487 2.526 1.00 41.41 H new ATOM 0 HD13 ILE A 70 -12.363 3.993 1.965 1.00 41.41 H new ATOM 1137 N ARG A 71 -13.953 8.359 -1.005 1.00 4.44 N ATOM 1138 CA ARG A 71 -15.037 9.312 -1.206 1.00 74.14 C ATOM 1139 C ARG A 71 -14.987 9.904 -2.612 1.00 4.30 C ATOM 1140 O ARG A 71 -15.980 9.891 -3.337 1.00 41.33 O ATOM 1141 CB ARG A 71 -14.961 10.432 -0.166 1.00 51.14 C ATOM 1142 CG ARG A 71 -16.242 11.242 -0.050 1.00 2.44 C ATOM 1143 CD ARG A 71 -16.018 12.527 0.734 1.00 72.44 C ATOM 1144 NE ARG A 71 -16.901 13.600 0.287 1.00 53.11 N ATOM 1145 CZ ARG A 71 -16.749 14.871 0.639 1.00 4.45 C ATOM 1146 NH1 ARG A 71 -15.752 15.226 1.440 1.00 35.42 N ATOM 1147 NH2 ARG A 71 -17.594 15.792 0.192 1.00 51.22 N ATOM 0 H ARG A 71 -13.328 8.588 -0.232 1.00 4.44 H new ATOM 0 HA ARG A 71 -15.981 8.780 -1.088 1.00 74.14 H new ATOM 0 HB2 ARG A 71 -14.726 9.999 0.806 1.00 51.14 H new ATOM 0 HB3 ARG A 71 -14.140 11.101 -0.424 1.00 51.14 H new ATOM 0 HG2 ARG A 71 -16.614 11.482 -1.046 1.00 2.44 H new ATOM 0 HG3 ARG A 71 -17.009 10.644 0.441 1.00 2.44 H new ATOM 0 HD2 ARG A 71 -16.184 12.338 1.795 1.00 72.44 H new ATOM 0 HD3 ARG A 71 -14.980 12.842 0.625 1.00 72.44 H new ATOM 0 HE ARG A 71 -17.677 13.360 -0.330 1.00 53.11 H new ATOM 0 HH11 ARG A 71 -15.101 14.522 1.786 1.00 35.42 H new ATOM 0 HH12 ARG A 71 -15.637 16.203 1.709 1.00 35.42 H new ATOM 0 HH21 ARG A 71 -18.362 15.524 -0.423 1.00 51.22 H new ATOM 0 HH22 ARG A 71 -17.475 16.768 0.464 1.00 51.22 H new ATOM 1161 N ASN A 72 -13.822 10.424 -2.988 1.00 60.32 N ATOM 1162 CA ASN A 72 -13.643 11.022 -4.306 1.00 63.15 C ATOM 1163 C ASN A 72 -14.108 10.070 -5.404 1.00 22.30 C ATOM 1164 O ASN A 72 -15.190 10.235 -5.965 1.00 51.44 O ATOM 1165 CB ASN A 72 -12.173 11.391 -4.524 1.00 74.04 C ATOM 1166 CG ASN A 72 -11.809 12.715 -3.882 1.00 51.55 C ATOM 1167 OD1 ASN A 72 -11.599 13.714 -4.570 1.00 53.45 O ATOM 1168 ND2 ASN A 72 -11.732 12.729 -2.557 1.00 33.32 N ATOM 0 H ASN A 72 -12.989 10.443 -2.399 1.00 60.32 H new ATOM 0 HA ASN A 72 -14.250 11.926 -4.354 1.00 63.15 H new ATOM 0 HB2 ASN A 72 -11.539 10.605 -4.114 1.00 74.04 H new ATOM 0 HB3 ASN A 72 -11.968 11.440 -5.593 1.00 74.04 H new ATOM 0 HD21 ASN A 72 -11.491 13.592 -2.069 1.00 33.32 H new ATOM 0 HD22 ASN A 72 -11.914 11.877 -2.027 1.00 33.32 H new ATOM 1175 N ASP A 73 -13.283 9.072 -5.703 1.00 30.43 N ATOM 1176 CA ASP A 73 -13.610 8.092 -6.732 1.00 25.22 C ATOM 1177 C ASP A 73 -14.993 7.493 -6.493 1.00 2.35 C ATOM 1178 O ASP A 73 -15.883 7.607 -7.333 1.00 31.21 O ATOM 1179 CB ASP A 73 -12.558 6.981 -6.761 1.00 52.55 C ATOM 1180 CG ASP A 73 -11.143 7.523 -6.699 1.00 30.33 C ATOM 1181 OD1 ASP A 73 -10.939 8.695 -7.079 1.00 62.44 O ATOM 1182 OD2 ASP A 73 -10.240 6.775 -6.268 1.00 40.21 O ATOM 0 H ASP A 73 -12.383 8.921 -5.247 1.00 30.43 H new ATOM 0 HA ASP A 73 -13.616 8.602 -7.695 1.00 25.22 H new ATOM 0 HB2 ASP A 73 -12.723 6.306 -5.921 1.00 52.55 H new ATOM 0 HB3 ASP A 73 -12.679 6.393 -7.671 1.00 52.55 H new ATOM 1187 N GLY A 74 -15.163 6.854 -5.339 1.00 33.30 N ATOM 1188 CA GLY A 74 -16.440 6.246 -5.010 1.00 4.14 C ATOM 1189 C GLY A 74 -16.341 4.742 -4.849 1.00 64.12 C ATOM 1190 O GLY A 74 -17.291 4.016 -5.138 1.00 34.21 O ATOM 0 H GLY A 74 -14.441 6.747 -4.627 1.00 33.30 H new ATOM 0 HA2 GLY A 74 -16.820 6.683 -4.087 1.00 4.14 H new ATOM 0 HA3 GLY A 74 -17.162 6.478 -5.793 1.00 4.14 H new ATOM 1194 N VAL A 75 -15.186 4.272 -4.389 1.00 43.53 N ATOM 1195 CA VAL A 75 -14.965 2.844 -4.192 1.00 32.54 C ATOM 1196 C VAL A 75 -15.443 2.400 -2.814 1.00 12.12 C ATOM 1197 O VAL A 75 -16.050 3.175 -2.074 1.00 12.42 O ATOM 1198 CB VAL A 75 -13.477 2.478 -4.350 1.00 14.03 C ATOM 1199 CG1 VAL A 75 -12.936 3.001 -5.671 1.00 63.54 C ATOM 1200 CG2 VAL A 75 -12.669 3.022 -3.180 1.00 55.43 C ATOM 0 H VAL A 75 -14.388 4.859 -4.146 1.00 43.53 H new ATOM 0 HA VAL A 75 -15.541 2.326 -4.958 1.00 32.54 H new ATOM 0 HB VAL A 75 -13.385 1.392 -4.353 1.00 14.03 H new ATOM 0 HG11 VAL A 75 -11.884 2.733 -5.765 1.00 63.54 H new ATOM 0 HG12 VAL A 75 -13.498 2.560 -6.494 1.00 63.54 H new ATOM 0 HG13 VAL A 75 -13.038 4.086 -5.702 1.00 63.54 H new ATOM 0 HG21 VAL A 75 -11.620 2.755 -3.307 1.00 55.43 H new ATOM 0 HG22 VAL A 75 -12.765 4.107 -3.145 1.00 55.43 H new ATOM 0 HG23 VAL A 75 -13.042 2.594 -2.250 1.00 55.43 H new ATOM 1210 N THR A 76 -15.166 1.145 -2.474 1.00 62.50 N ATOM 1211 CA THR A 76 -15.568 0.596 -1.185 1.00 74.05 C ATOM 1212 C THR A 76 -14.586 -0.468 -0.710 1.00 5.01 C ATOM 1213 O THR A 76 -14.235 -1.383 -1.457 1.00 35.31 O ATOM 1214 CB THR A 76 -16.979 -0.019 -1.252 1.00 30.01 C ATOM 1215 OG1 THR A 76 -17.758 0.648 -2.252 1.00 43.02 O ATOM 1216 CG2 THR A 76 -17.679 0.085 0.095 1.00 14.22 C ATOM 0 H THR A 76 -14.665 0.490 -3.074 1.00 62.50 H new ATOM 0 HA THR A 76 -15.573 1.425 -0.477 1.00 74.05 H new ATOM 0 HB THR A 76 -16.880 -1.073 -1.512 1.00 30.01 H new ATOM 0 HG1 THR A 76 -18.653 0.250 -2.289 1.00 43.02 H new ATOM 0 HG21 THR A 76 -18.673 -0.356 0.023 1.00 14.22 H new ATOM 0 HG22 THR A 76 -17.099 -0.448 0.848 1.00 14.22 H new ATOM 0 HG23 THR A 76 -17.766 1.134 0.380 1.00 14.22 H new ATOM 1224 N LEU A 77 -14.143 -0.343 0.537 1.00 41.11 N ATOM 1225 CA LEU A 77 -13.199 -1.295 1.112 1.00 10.52 C ATOM 1226 C LEU A 77 -13.914 -2.565 1.562 1.00 2.43 C ATOM 1227 O LEU A 77 -15.027 -2.852 1.122 1.00 3.13 O ATOM 1228 CB LEU A 77 -12.465 -0.662 2.296 1.00 43.04 C ATOM 1229 CG LEU A 77 -12.230 0.846 2.212 1.00 55.43 C ATOM 1230 CD1 LEU A 77 -13.275 1.595 3.024 1.00 5.13 C ATOM 1231 CD2 LEU A 77 -10.828 1.196 2.690 1.00 72.21 C ATOM 0 H LEU A 77 -14.422 0.408 1.168 1.00 41.11 H new ATOM 0 HA LEU A 77 -12.474 -1.561 0.343 1.00 10.52 H new ATOM 0 HB2 LEU A 77 -13.032 -0.871 3.203 1.00 43.04 H new ATOM 0 HB3 LEU A 77 -11.499 -1.155 2.404 1.00 43.04 H new ATOM 0 HG LEU A 77 -12.323 1.151 1.170 1.00 55.43 H new ATOM 0 HD11 LEU A 77 -13.092 2.667 2.952 1.00 5.13 H new ATOM 0 HD12 LEU A 77 -14.268 1.370 2.635 1.00 5.13 H new ATOM 0 HD13 LEU A 77 -13.215 1.286 4.067 1.00 5.13 H new ATOM 0 HD21 LEU A 77 -10.679 2.274 2.623 1.00 72.21 H new ATOM 0 HD22 LEU A 77 -10.706 0.877 3.725 1.00 72.21 H new ATOM 0 HD23 LEU A 77 -10.093 0.689 2.065 1.00 72.21 H new ATOM 1243 N SER A 78 -13.267 -3.321 2.443 1.00 22.13 N ATOM 1244 CA SER A 78 -13.839 -4.562 2.953 1.00 75.53 C ATOM 1245 C SER A 78 -13.186 -4.961 4.272 1.00 1.13 C ATOM 1246 O SER A 78 -12.310 -4.261 4.780 1.00 12.23 O ATOM 1247 CB SER A 78 -13.672 -5.684 1.926 1.00 23.41 C ATOM 1248 OG SER A 78 -12.565 -5.438 1.077 1.00 23.20 O ATOM 0 H SER A 78 -12.346 -3.096 2.819 1.00 22.13 H new ATOM 0 HA SER A 78 -14.902 -4.397 3.131 1.00 75.53 H new ATOM 0 HB2 SER A 78 -13.535 -6.635 2.441 1.00 23.41 H new ATOM 0 HB3 SER A 78 -14.580 -5.773 1.329 1.00 23.41 H new ATOM 0 HG SER A 78 -12.065 -6.270 0.942 1.00 23.20 H new ATOM 1254 N ASP A 79 -13.617 -6.091 4.821 1.00 33.23 N ATOM 1255 CA ASP A 79 -13.074 -6.586 6.080 1.00 33.14 C ATOM 1256 C ASP A 79 -11.551 -6.639 6.032 1.00 54.32 C ATOM 1257 O ASP A 79 -10.872 -5.812 6.640 1.00 24.33 O ATOM 1258 CB ASP A 79 -13.636 -7.974 6.393 1.00 74.05 C ATOM 1259 CG ASP A 79 -15.054 -7.919 6.924 1.00 13.43 C ATOM 1260 OD1 ASP A 79 -15.711 -6.870 6.757 1.00 42.54 O ATOM 1261 OD2 ASP A 79 -15.509 -8.925 7.508 1.00 70.35 O ATOM 0 H ASP A 79 -14.342 -6.682 4.413 1.00 33.23 H new ATOM 0 HA ASP A 79 -13.370 -5.896 6.870 1.00 33.14 H new ATOM 0 HB2 ASP A 79 -13.613 -8.584 5.490 1.00 74.05 H new ATOM 0 HB3 ASP A 79 -12.996 -8.465 7.126 1.00 74.05 H new ATOM 1266 N TYR A 80 -11.021 -7.616 5.305 1.00 11.45 N ATOM 1267 CA TYR A 80 -9.578 -7.779 5.180 1.00 41.02 C ATOM 1268 C TYR A 80 -8.919 -6.478 4.730 1.00 23.35 C ATOM 1269 O TYR A 80 -7.819 -6.144 5.169 1.00 13.53 O ATOM 1270 CB TYR A 80 -9.254 -8.896 4.186 1.00 24.31 C ATOM 1271 CG TYR A 80 -9.660 -8.580 2.765 1.00 10.41 C ATOM 1272 CD1 TYR A 80 -10.982 -8.705 2.355 1.00 60.41 C ATOM 1273 CD2 TYR A 80 -8.722 -8.155 1.832 1.00 13.31 C ATOM 1274 CE1 TYR A 80 -11.357 -8.419 1.057 1.00 12.25 C ATOM 1275 CE2 TYR A 80 -9.089 -7.863 0.532 1.00 21.42 C ATOM 1276 CZ TYR A 80 -10.407 -7.998 0.150 1.00 12.22 C ATOM 1277 OH TYR A 80 -10.777 -7.709 -1.144 1.00 34.50 O ATOM 0 H TYR A 80 -11.569 -8.307 4.793 1.00 11.45 H new ATOM 0 HA TYR A 80 -9.183 -8.046 6.160 1.00 41.02 H new ATOM 0 HB2 TYR A 80 -8.183 -9.095 4.213 1.00 24.31 H new ATOM 0 HB3 TYR A 80 -9.756 -9.810 4.503 1.00 24.31 H new ATOM 0 HD1 TYR A 80 -11.729 -9.031 3.064 1.00 60.41 H new ATOM 0 HD2 TYR A 80 -7.689 -8.051 2.128 1.00 13.31 H new ATOM 0 HE1 TYR A 80 -12.388 -8.524 0.754 1.00 12.25 H new ATOM 0 HE2 TYR A 80 -8.348 -7.531 -0.180 1.00 21.42 H new ATOM 0 HH TYR A 80 -9.990 -7.425 -1.654 1.00 34.50 H new ATOM 1287 N GLN A 81 -9.602 -5.748 3.854 1.00 62.23 N ATOM 1288 CA GLN A 81 -9.084 -4.484 3.346 1.00 53.35 C ATOM 1289 C GLN A 81 -8.839 -3.498 4.483 1.00 72.50 C ATOM 1290 O GLN A 81 -7.696 -3.233 4.852 1.00 51.42 O ATOM 1291 CB GLN A 81 -10.059 -3.880 2.332 1.00 24.31 C ATOM 1292 CG GLN A 81 -9.654 -4.113 0.886 1.00 52.30 C ATOM 1293 CD GLN A 81 -8.858 -2.958 0.310 1.00 14.32 C ATOM 1294 OE1 GLN A 81 -8.200 -2.216 1.041 1.00 60.41 O ATOM 1295 NE2 GLN A 81 -8.915 -2.798 -1.007 1.00 45.12 N ATOM 0 H GLN A 81 -10.515 -6.010 3.482 1.00 62.23 H new ATOM 0 HA GLN A 81 -8.133 -4.683 2.852 1.00 53.35 H new ATOM 0 HB2 GLN A 81 -11.050 -4.304 2.496 1.00 24.31 H new ATOM 0 HB3 GLN A 81 -10.138 -2.808 2.510 1.00 24.31 H new ATOM 0 HG2 GLN A 81 -9.062 -5.026 0.821 1.00 52.30 H new ATOM 0 HG3 GLN A 81 -10.548 -4.270 0.283 1.00 52.30 H new ATOM 0 HE21 GLN A 81 -9.473 -3.436 -1.575 1.00 45.12 H new ATOM 0 HE22 GLN A 81 -8.401 -2.037 -1.451 1.00 45.12 H new ATOM 1304 N SER A 82 -9.922 -2.959 5.035 1.00 21.20 N ATOM 1305 CA SER A 82 -9.824 -2.000 6.129 1.00 52.41 C ATOM 1306 C SER A 82 -8.914 -2.526 7.234 1.00 0.11 C ATOM 1307 O SER A 82 -8.208 -1.761 7.891 1.00 42.32 O ATOM 1308 CB SER A 82 -11.212 -1.698 6.697 1.00 72.05 C ATOM 1309 OG SER A 82 -12.058 -1.140 5.707 1.00 54.53 O ATOM 0 H SER A 82 -10.876 -3.170 4.743 1.00 21.20 H new ATOM 0 HA SER A 82 -9.392 -1.080 5.734 1.00 52.41 H new ATOM 0 HB2 SER A 82 -11.657 -2.614 7.085 1.00 72.05 H new ATOM 0 HB3 SER A 82 -11.123 -1.007 7.535 1.00 72.05 H new ATOM 0 HG SER A 82 -12.939 -0.958 6.095 1.00 54.53 H new ATOM 1315 N LYS A 83 -8.937 -3.840 7.435 1.00 5.54 N ATOM 1316 CA LYS A 83 -8.113 -4.472 8.459 1.00 1.45 C ATOM 1317 C LYS A 83 -6.631 -4.341 8.123 1.00 60.31 C ATOM 1318 O LYS A 83 -5.827 -3.935 8.963 1.00 61.23 O ATOM 1319 CB LYS A 83 -8.486 -5.949 8.603 1.00 74.23 C ATOM 1320 CG LYS A 83 -9.817 -6.175 9.300 1.00 64.14 C ATOM 1321 CD LYS A 83 -9.628 -6.468 10.780 1.00 51.35 C ATOM 1322 CE LYS A 83 -10.963 -6.604 11.495 1.00 41.13 C ATOM 1323 NZ LYS A 83 -10.790 -6.995 12.921 1.00 63.21 N ATOM 0 H LYS A 83 -9.517 -4.488 6.902 1.00 5.54 H new ATOM 0 HA LYS A 83 -8.299 -3.963 9.405 1.00 1.45 H new ATOM 0 HB2 LYS A 83 -8.522 -6.404 7.613 1.00 74.23 H new ATOM 0 HB3 LYS A 83 -7.702 -6.460 9.161 1.00 74.23 H new ATOM 0 HG2 LYS A 83 -10.446 -5.293 9.180 1.00 64.14 H new ATOM 0 HG3 LYS A 83 -10.340 -7.006 8.827 1.00 64.14 H new ATOM 0 HD2 LYS A 83 -9.054 -7.387 10.900 1.00 51.35 H new ATOM 0 HD3 LYS A 83 -9.048 -5.668 11.239 1.00 51.35 H new ATOM 0 HE2 LYS A 83 -11.502 -5.658 11.440 1.00 41.13 H new ATOM 0 HE3 LYS A 83 -11.574 -7.349 10.985 1.00 41.13 H new ATOM 0 HZ1 LYS A 83 -11.723 -7.077 13.374 1.00 63.21 H new ATOM 0 HZ2 LYS A 83 -10.298 -7.910 12.973 1.00 63.21 H new ATOM 0 HZ3 LYS A 83 -10.229 -6.271 13.414 1.00 63.21 H new ATOM 1337 N LYS A 84 -6.275 -4.686 6.890 1.00 14.11 N ATOM 1338 CA LYS A 84 -4.891 -4.605 6.441 1.00 64.33 C ATOM 1339 C LYS A 84 -4.393 -3.163 6.470 1.00 52.25 C ATOM 1340 O LYS A 84 -3.187 -2.912 6.488 1.00 53.05 O ATOM 1341 CB LYS A 84 -4.757 -5.175 5.027 1.00 14.21 C ATOM 1342 CG LYS A 84 -4.896 -4.128 3.935 1.00 60.12 C ATOM 1343 CD LYS A 84 -3.542 -3.584 3.509 1.00 22.53 C ATOM 1344 CE LYS A 84 -3.657 -2.169 2.961 1.00 22.54 C ATOM 1345 NZ LYS A 84 -2.728 -1.940 1.821 1.00 52.43 N ATOM 0 H LYS A 84 -6.928 -5.025 6.183 1.00 14.11 H new ATOM 0 HA LYS A 84 -4.279 -5.196 7.123 1.00 64.33 H new ATOM 0 HB2 LYS A 84 -3.787 -5.662 4.931 1.00 14.21 H new ATOM 0 HB3 LYS A 84 -5.516 -5.944 4.881 1.00 14.21 H new ATOM 0 HG2 LYS A 84 -5.401 -4.564 3.073 1.00 60.12 H new ATOM 0 HG3 LYS A 84 -5.522 -3.310 4.291 1.00 60.12 H new ATOM 0 HD2 LYS A 84 -2.861 -3.591 4.360 1.00 22.53 H new ATOM 0 HD3 LYS A 84 -3.110 -4.235 2.750 1.00 22.53 H new ATOM 0 HE2 LYS A 84 -4.682 -1.987 2.637 1.00 22.54 H new ATOM 0 HE3 LYS A 84 -3.442 -1.453 3.755 1.00 22.54 H new ATOM 0 HZ1 LYS A 84 -2.984 -1.056 1.337 1.00 52.43 H new ATOM 0 HZ2 LYS A 84 -1.753 -1.871 2.176 1.00 52.43 H new ATOM 0 HZ3 LYS A 84 -2.797 -2.733 1.152 1.00 52.43 H new ATOM 1359 N LEU A 85 -5.329 -2.219 6.474 1.00 65.04 N ATOM 1360 CA LEU A 85 -4.984 -0.802 6.502 1.00 23.01 C ATOM 1361 C LEU A 85 -4.372 -0.416 7.845 1.00 60.31 C ATOM 1362 O LEU A 85 -3.458 0.407 7.910 1.00 54.24 O ATOM 1363 CB LEU A 85 -6.226 0.050 6.232 1.00 43.04 C ATOM 1364 CG LEU A 85 -6.149 0.983 5.024 1.00 54.10 C ATOM 1365 CD1 LEU A 85 -7.413 1.822 4.916 1.00 1.45 C ATOM 1366 CD2 LEU A 85 -4.920 1.875 5.116 1.00 10.21 C ATOM 0 H LEU A 85 -6.331 -2.409 6.458 1.00 65.04 H new ATOM 0 HA LEU A 85 -4.246 -0.618 5.721 1.00 23.01 H new ATOM 0 HB2 LEU A 85 -7.077 -0.617 6.097 1.00 43.04 H new ATOM 0 HB3 LEU A 85 -6.429 0.651 7.118 1.00 43.04 H new ATOM 0 HG LEU A 85 -6.064 0.374 4.124 1.00 54.10 H new ATOM 0 HD11 LEU A 85 -7.340 2.480 4.050 1.00 1.45 H new ATOM 0 HD12 LEU A 85 -8.276 1.166 4.802 1.00 1.45 H new ATOM 0 HD13 LEU A 85 -7.530 2.422 5.819 1.00 1.45 H new ATOM 0 HD21 LEU A 85 -4.882 2.532 4.247 1.00 10.21 H new ATOM 0 HD22 LEU A 85 -4.974 2.476 6.024 1.00 10.21 H new ATOM 0 HD23 LEU A 85 -4.023 1.257 5.143 1.00 10.21 H new ATOM 1378 N LYS A 86 -4.879 -1.019 8.915 1.00 2.40 N ATOM 1379 CA LYS A 86 -4.380 -0.743 10.257 1.00 14.12 C ATOM 1380 C LYS A 86 -2.993 -1.346 10.458 1.00 51.53 C ATOM 1381 O LYS A 86 -2.336 -1.090 11.465 1.00 1.32 O ATOM 1382 CB LYS A 86 -5.345 -1.298 11.307 1.00 55.10 C ATOM 1383 CG LYS A 86 -5.211 -2.795 11.524 1.00 20.23 C ATOM 1384 CD LYS A 86 -4.586 -3.109 12.873 1.00 4.42 C ATOM 1385 CE LYS A 86 -5.543 -2.805 14.016 1.00 65.10 C ATOM 1386 NZ LYS A 86 -6.634 -3.814 14.107 1.00 21.02 N ATOM 0 H LYS A 86 -5.635 -1.702 8.879 1.00 2.40 H new ATOM 0 HA LYS A 86 -4.307 0.338 10.374 1.00 14.12 H new ATOM 0 HB2 LYS A 86 -5.173 -0.785 12.253 1.00 55.10 H new ATOM 0 HB3 LYS A 86 -6.368 -1.073 11.004 1.00 55.10 H new ATOM 0 HG2 LYS A 86 -6.194 -3.262 11.460 1.00 20.23 H new ATOM 0 HG3 LYS A 86 -4.601 -3.225 10.730 1.00 20.23 H new ATOM 0 HD2 LYS A 86 -4.300 -4.160 12.907 1.00 4.42 H new ATOM 0 HD3 LYS A 86 -3.673 -2.526 12.997 1.00 4.42 H new ATOM 0 HE2 LYS A 86 -4.991 -2.781 14.956 1.00 65.10 H new ATOM 0 HE3 LYS A 86 -5.975 -1.814 13.875 1.00 65.10 H new ATOM 0 HZ1 LYS A 86 -7.174 -3.663 14.983 1.00 21.02 H new ATOM 0 HZ2 LYS A 86 -7.267 -3.715 13.288 1.00 21.02 H new ATOM 0 HZ3 LYS A 86 -6.223 -4.770 14.114 1.00 21.02 H new ATOM 1400 N GLU A 87 -2.555 -2.145 9.490 1.00 52.32 N ATOM 1401 CA GLU A 87 -1.245 -2.783 9.561 1.00 34.33 C ATOM 1402 C GLU A 87 -0.130 -1.743 9.498 1.00 61.25 C ATOM 1403 O GLU A 87 0.464 -1.391 10.518 1.00 52.14 O ATOM 1404 CB GLU A 87 -1.083 -3.793 8.422 1.00 11.44 C ATOM 1405 CG GLU A 87 -2.032 -4.975 8.517 1.00 23.22 C ATOM 1406 CD GLU A 87 -1.881 -5.937 7.356 1.00 61.34 C ATOM 1407 OE1 GLU A 87 -0.926 -5.773 6.568 1.00 13.45 O ATOM 1408 OE2 GLU A 87 -2.719 -6.856 7.233 1.00 65.13 O ATOM 0 H GLU A 87 -3.087 -2.366 8.648 1.00 52.32 H new ATOM 0 HA GLU A 87 -1.175 -3.308 10.514 1.00 34.33 H new ATOM 0 HB2 GLU A 87 -1.244 -3.285 7.471 1.00 11.44 H new ATOM 0 HB3 GLU A 87 -0.057 -4.161 8.417 1.00 11.44 H new ATOM 0 HG2 GLU A 87 -1.852 -5.507 9.451 1.00 23.22 H new ATOM 0 HG3 GLU A 87 -3.059 -4.610 8.551 1.00 23.22 H new ATOM 1415 N LEU A 88 0.150 -1.258 8.293 1.00 20.04 N ATOM 1416 CA LEU A 88 1.194 -0.259 8.096 1.00 64.32 C ATOM 1417 C LEU A 88 0.847 1.042 8.812 1.00 2.20 C ATOM 1418 O LEU A 88 1.670 1.953 8.903 1.00 44.30 O ATOM 1419 CB LEU A 88 1.398 0.006 6.603 1.00 1.42 C ATOM 1420 CG LEU A 88 0.126 0.090 5.757 1.00 44.13 C ATOM 1421 CD1 LEU A 88 -0.324 -1.298 5.333 1.00 73.33 C ATOM 1422 CD2 LEU A 88 -0.978 0.801 6.524 1.00 10.23 C ATOM 0 H LEU A 88 -0.331 -1.540 7.439 1.00 20.04 H new ATOM 0 HA LEU A 88 2.119 -0.649 8.520 1.00 64.32 H new ATOM 0 HB2 LEU A 88 1.947 0.941 6.492 1.00 1.42 H new ATOM 0 HB3 LEU A 88 2.029 -0.784 6.197 1.00 1.42 H new ATOM 0 HG LEU A 88 0.346 0.668 4.859 1.00 44.13 H new ATOM 0 HD11 LEU A 88 -1.230 -1.219 4.732 1.00 73.33 H new ATOM 0 HD12 LEU A 88 0.462 -1.771 4.744 1.00 73.33 H new ATOM 0 HD13 LEU A 88 -0.527 -1.901 6.218 1.00 73.33 H new ATOM 0 HD21 LEU A 88 -1.875 0.852 5.907 1.00 10.23 H new ATOM 0 HD22 LEU A 88 -1.198 0.251 7.439 1.00 10.23 H new ATOM 0 HD23 LEU A 88 -0.654 1.811 6.776 1.00 10.23 H new ATOM 1434 N THR A 89 -0.378 1.122 9.322 1.00 22.11 N ATOM 1435 CA THR A 89 -0.835 2.310 10.032 1.00 41.23 C ATOM 1436 C THR A 89 -0.056 2.510 11.327 1.00 3.22 C ATOM 1437 O THR A 89 0.387 3.618 11.631 1.00 32.02 O ATOM 1438 CB THR A 89 -2.338 2.226 10.358 1.00 11.54 C ATOM 1439 OG1 THR A 89 -3.110 2.558 9.198 1.00 5.33 O ATOM 1440 CG2 THR A 89 -2.696 3.166 11.499 1.00 15.40 C ATOM 0 H THR A 89 -1.072 0.377 9.256 1.00 22.11 H new ATOM 0 HA THR A 89 -0.661 3.160 9.372 1.00 41.23 H new ATOM 0 HB THR A 89 -2.566 1.205 10.664 1.00 11.54 H new ATOM 0 HG1 THR A 89 -3.598 1.765 8.892 1.00 5.33 H new ATOM 0 HG21 THR A 89 -3.762 3.090 11.712 1.00 15.40 H new ATOM 0 HG22 THR A 89 -2.128 2.892 12.388 1.00 15.40 H new ATOM 0 HG23 THR A 89 -2.455 4.191 11.216 1.00 15.40 H new ATOM 1448 N SER A 90 0.111 1.432 12.085 1.00 32.21 N ATOM 1449 CA SER A 90 0.834 1.490 13.350 1.00 13.30 C ATOM 1450 C SER A 90 2.339 1.561 13.111 1.00 24.44 C ATOM 1451 O SER A 90 3.086 2.085 13.939 1.00 61.41 O ATOM 1452 CB SER A 90 0.499 0.271 14.211 1.00 1.10 C ATOM 1453 OG SER A 90 -0.336 0.628 15.298 1.00 1.22 O ATOM 0 H SER A 90 -0.245 0.507 11.845 1.00 32.21 H new ATOM 0 HA SER A 90 0.524 2.392 13.877 1.00 13.30 H new ATOM 0 HB2 SER A 90 0.004 -0.484 13.601 1.00 1.10 H new ATOM 0 HB3 SER A 90 1.419 -0.176 14.587 1.00 1.10 H new ATOM 0 HG SER A 90 -0.537 -0.169 15.832 1.00 1.22 H new ATOM 1459 N ILE A 91 2.778 1.029 11.975 1.00 15.53 N ATOM 1460 CA ILE A 91 4.193 1.033 11.627 1.00 52.52 C ATOM 1461 C ILE A 91 4.680 2.445 11.319 1.00 10.11 C ATOM 1462 O ILE A 91 5.835 2.784 11.576 1.00 60.10 O ATOM 1463 CB ILE A 91 4.476 0.129 10.412 1.00 30.42 C ATOM 1464 CG1 ILE A 91 3.850 -1.252 10.621 1.00 51.04 C ATOM 1465 CG2 ILE A 91 5.974 0.008 10.180 1.00 61.22 C ATOM 1466 CD1 ILE A 91 4.005 -2.172 9.430 1.00 1.20 C ATOM 0 H ILE A 91 2.174 0.590 11.280 1.00 15.53 H new ATOM 0 HA ILE A 91 4.732 0.646 12.492 1.00 52.52 H new ATOM 0 HB ILE A 91 4.027 0.581 9.528 1.00 30.42 H new ATOM 0 HG12 ILE A 91 4.306 -1.720 11.493 1.00 51.04 H new ATOM 0 HG13 ILE A 91 2.789 -1.132 10.841 1.00 51.04 H new ATOM 0 HG21 ILE A 91 6.158 -0.634 9.318 1.00 61.22 H new ATOM 0 HG22 ILE A 91 6.394 0.996 9.993 1.00 61.22 H new ATOM 0 HG23 ILE A 91 6.445 -0.425 11.062 1.00 61.22 H new ATOM 0 HD11 ILE A 91 3.538 -3.132 9.649 1.00 1.20 H new ATOM 0 HD12 ILE A 91 3.524 -1.725 8.560 1.00 1.20 H new ATOM 0 HD13 ILE A 91 5.064 -2.323 9.222 1.00 1.20 H new ATOM 1478 N SER A 92 3.791 3.265 10.769 1.00 13.51 N ATOM 1479 CA SER A 92 4.130 4.641 10.424 1.00 20.11 C ATOM 1480 C SER A 92 4.295 5.491 11.680 1.00 23.32 C ATOM 1481 O SER A 92 3.318 5.973 12.250 1.00 20.42 O ATOM 1482 CB SER A 92 3.050 5.246 9.525 1.00 74.25 C ATOM 1483 OG SER A 92 1.866 4.468 9.557 1.00 12.12 O ATOM 0 H SER A 92 2.830 3.001 10.552 1.00 13.51 H new ATOM 0 HA SER A 92 5.077 4.630 9.885 1.00 20.11 H new ATOM 0 HB2 SER A 92 2.830 6.263 9.850 1.00 74.25 H new ATOM 0 HB3 SER A 92 3.419 5.311 8.501 1.00 74.25 H new ATOM 0 HG SER A 92 1.992 3.658 9.020 1.00 12.12 H new