USER MOD reduce.3.24.130724 H: found=0, std=0, add=649, rem=0, adj=9 USER MOD reduce.3.24.130724 removed 550 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 Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 22 ASN : amide:sc= 0 X(o=0,f=-0.28) USER MOD Single : A 24 LYS NZ :NH3+ 162:sc= 0.0425 (180deg=0.0102) USER MOD Single : A 30 ASN : amide:sc= 0.439 K(o=0.44,f=-3.9!) USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 THR OG1 : rot 180:sc= 0 USER MOD Single : A 51 TYR OH : rot 100:sc=-0.00198 USER MOD Single : A 54 THR OG1 : rot -84:sc= 1.22 USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 84 THR OG1 : rot 180:sc= 0 USER MOD Single : A 88 LYS NZ :NH3+ 163:sc= 0.27 (180deg=0.157) USER MOD Single : A 89 MET CE :methyl -144:sc= -0.317 (180deg=-1.93) USER MOD Single : A 95 THR OG1 : rot 154:sc= 0.307 USER MOD Single : A 99 GLN : amide:sc= -0.149 K(o=-0.15,f=-6.1!) USER MOD Single : A 102 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 189 N LYS A 14 2.765 -18.080 8.586 1.00 11.14 N ATOM 190 CA LYS A 14 1.515 -17.594 8.008 1.00 22.13 C ATOM 191 C LYS A 14 1.756 -17.007 6.621 1.00 45.54 C ATOM 192 O LYS A 14 1.147 -17.417 5.634 1.00 34.44 O ATOM 193 CB LYS A 14 0.879 -16.558 8.946 1.00 14.52 C ATOM 194 CG LYS A 14 -0.549 -16.167 8.528 1.00 74.42 C ATOM 195 CD LYS A 14 -1.506 -15.855 9.687 1.00 61.23 C ATOM 196 CE LYS A 14 -0.957 -14.816 10.673 1.00 70.34 C ATOM 197 NZ LYS A 14 -1.856 -14.585 11.825 1.00 71.01 N ATOM 0 HA LYS A 14 0.825 -18.430 7.896 1.00 22.13 H new ATOM 0 HB2 LYS A 14 0.858 -16.958 9.960 1.00 14.52 H new ATOM 0 HB3 LYS A 14 1.503 -15.664 8.968 1.00 14.52 H new ATOM 0 HG2 LYS A 14 -0.494 -15.294 7.878 1.00 74.42 H new ATOM 0 HG3 LYS A 14 -0.973 -16.979 7.936 1.00 74.42 H new ATOM 0 HD2 LYS A 14 -2.451 -15.494 9.280 1.00 61.23 H new ATOM 0 HD3 LYS A 14 -1.723 -16.777 10.227 1.00 61.23 H new ATOM 0 HE2 LYS A 14 0.015 -15.147 11.038 1.00 70.34 H new ATOM 0 HE3 LYS A 14 -0.797 -13.874 10.149 1.00 70.34 H new ATOM 0 HZ1 LYS A 14 -1.435 -13.875 12.457 1.00 71.01 H new ATOM 0 HZ2 LYS A 14 -2.777 -14.242 11.484 1.00 71.01 H new ATOM 0 HZ3 LYS A 14 -1.990 -15.476 12.345 1.00 71.01 H new ATOM 207 N PHE A 15 2.625 -16.001 6.560 1.00 64.25 N ATOM 208 CA PHE A 15 2.801 -15.163 5.391 1.00 52.11 C ATOM 209 C PHE A 15 3.706 -15.833 4.364 1.00 0.21 C ATOM 210 O PHE A 15 3.400 -15.821 3.176 1.00 3.10 O ATOM 211 CB PHE A 15 3.332 -13.800 5.844 1.00 64.43 C ATOM 212 CG PHE A 15 2.244 -12.865 6.334 1.00 61.45 C ATOM 213 CD1 PHE A 15 1.809 -12.902 7.672 1.00 11.30 C ATOM 214 CD2 PHE A 15 1.658 -11.946 5.447 1.00 25.41 C ATOM 215 CE1 PHE A 15 0.793 -12.038 8.113 1.00 61.32 C ATOM 216 CE2 PHE A 15 0.657 -11.074 5.887 1.00 30.00 C ATOM 217 CZ PHE A 15 0.218 -11.118 7.223 1.00 23.30 C ATOM 0 H PHE A 15 3.234 -15.746 7.338 1.00 64.25 H new ATOM 0 HA PHE A 15 1.844 -15.014 4.890 1.00 52.11 H new ATOM 0 HB2 PHE A 15 4.060 -13.948 6.641 1.00 64.43 H new ATOM 0 HB3 PHE A 15 3.859 -13.329 5.014 1.00 64.43 H new ATOM 0 HD1 PHE A 15 2.259 -13.599 8.364 1.00 11.30 H new ATOM 0 HD2 PHE A 15 1.983 -11.913 4.418 1.00 25.41 H new ATOM 0 HE1 PHE A 15 0.454 -12.082 9.138 1.00 61.32 H new ATOM 0 HE2 PHE A 15 0.220 -10.365 5.199 1.00 30.00 H new ATOM 0 HZ PHE A 15 -0.558 -10.447 7.562 1.00 23.30 H new ATOM 226 N ALA A 16 4.801 -16.442 4.815 1.00 33.14 N ATOM 227 CA ALA A 16 5.833 -17.037 3.971 1.00 51.44 C ATOM 228 C ALA A 16 5.358 -18.272 3.202 1.00 72.31 C ATOM 229 O ALA A 16 6.092 -18.772 2.355 1.00 54.44 O ATOM 230 CB ALA A 16 7.020 -17.430 4.845 1.00 40.12 C ATOM 0 H ALA A 16 5.000 -16.537 5.811 1.00 33.14 H new ATOM 0 HA ALA A 16 6.106 -16.286 3.230 1.00 51.44 H new ATOM 0 HB1 ALA A 16 7.797 -17.876 4.224 1.00 40.12 H new ATOM 0 HB2 ALA A 16 7.416 -16.544 5.341 1.00 40.12 H new ATOM 0 HB3 ALA A 16 6.696 -18.152 5.595 1.00 40.12 H new ATOM 236 N HIS A 17 4.168 -18.795 3.496 1.00 54.31 N ATOM 237 CA HIS A 17 3.499 -19.811 2.689 1.00 11.20 C ATOM 238 C HIS A 17 2.703 -19.169 1.536 1.00 2.11 C ATOM 239 O HIS A 17 1.880 -19.822 0.886 1.00 43.35 O ATOM 240 CB HIS A 17 2.640 -20.675 3.614 1.00 51.44 C ATOM 241 CG HIS A 17 3.448 -21.718 4.342 1.00 14.13 C ATOM 242 ND1 HIS A 17 3.312 -23.074 4.177 1.00 35.12 N ATOM 243 CD2 HIS A 17 4.438 -21.512 5.266 1.00 31.23 C ATOM 244 CE1 HIS A 17 4.178 -23.681 5.001 1.00 64.45 C ATOM 245 NE2 HIS A 17 4.891 -22.768 5.680 1.00 43.55 N ATOM 0 H HIS A 17 3.633 -18.518 4.319 1.00 54.31 H new ATOM 0 HA HIS A 17 4.231 -20.458 2.206 1.00 11.20 H new ATOM 0 HB2 HIS A 17 2.138 -20.036 4.341 1.00 51.44 H new ATOM 0 HB3 HIS A 17 1.862 -21.165 3.029 1.00 51.44 H new ATOM 0 HD2 HIS A 17 4.802 -20.555 5.611 1.00 31.23 H new ATOM 0 HE1 HIS A 17 4.287 -24.751 5.104 1.00 64.45 H new ATOM 0 HE2 HIS A 17 5.622 -22.955 6.366 1.00 43.55 H new ATOM 252 N ASP A 18 2.960 -17.887 1.262 1.00 52.53 N ATOM 253 CA ASP A 18 2.236 -17.036 0.335 1.00 44.41 C ATOM 254 C ASP A 18 0.736 -17.076 0.669 1.00 45.13 C ATOM 255 O ASP A 18 0.359 -17.294 1.824 1.00 54.41 O ATOM 256 CB ASP A 18 2.619 -17.322 -1.131 1.00 52.43 C ATOM 257 CG ASP A 18 4.069 -16.967 -1.467 1.00 40.34 C ATOM 258 OD1 ASP A 18 4.335 -15.787 -1.809 1.00 13.10 O ATOM 259 OD2 ASP A 18 4.941 -17.867 -1.468 1.00 75.21 O ATOM 0 H ASP A 18 3.729 -17.392 1.714 1.00 52.53 H new ATOM 0 HA ASP A 18 2.534 -15.995 0.459 1.00 44.41 H new ATOM 0 HB2 ASP A 18 2.455 -18.379 -1.341 1.00 52.43 H new ATOM 0 HB3 ASP A 18 1.955 -16.760 -1.787 1.00 52.43 H new ATOM 263 N ALA A 19 -0.124 -16.735 -0.294 1.00 74.42 N ATOM 264 CA ALA A 19 -1.570 -16.553 -0.187 1.00 31.34 C ATOM 265 C ALA A 19 -2.053 -15.679 0.988 1.00 63.33 C ATOM 266 O ALA A 19 -3.238 -15.685 1.307 1.00 22.23 O ATOM 267 CB ALA A 19 -2.267 -17.917 -0.225 1.00 22.03 C ATOM 0 H ALA A 19 0.202 -16.566 -1.246 1.00 74.42 H new ATOM 0 HA ALA A 19 -1.860 -15.965 -1.058 1.00 31.34 H new ATOM 0 HB1 ALA A 19 -3.345 -17.777 -0.145 1.00 22.03 H new ATOM 0 HB2 ALA A 19 -2.035 -18.418 -1.165 1.00 22.03 H new ATOM 0 HB3 ALA A 19 -1.918 -18.527 0.608 1.00 22.03 H new ATOM 273 N GLU A 20 -1.169 -14.909 1.622 1.00 1.14 N ATOM 274 CA GLU A 20 -1.496 -13.977 2.696 1.00 73.32 C ATOM 275 C GLU A 20 -0.802 -12.639 2.403 1.00 51.42 C ATOM 276 O GLU A 20 -1.475 -11.609 2.401 1.00 52.25 O ATOM 277 CB GLU A 20 -1.094 -14.592 4.048 1.00 30.01 C ATOM 278 CG GLU A 20 -1.558 -13.787 5.283 1.00 63.32 C ATOM 279 CD GLU A 20 -2.857 -14.299 5.927 1.00 54.22 C ATOM 280 OE1 GLU A 20 -2.907 -15.464 6.378 1.00 24.21 O ATOM 281 OE2 GLU A 20 -3.829 -13.516 6.057 1.00 25.11 O ATOM 0 H GLU A 20 -0.175 -14.918 1.394 1.00 1.14 H new ATOM 0 HA GLU A 20 -2.568 -13.786 2.751 1.00 73.32 H new ATOM 0 HB2 GLU A 20 -1.506 -15.599 4.111 1.00 30.01 H new ATOM 0 HB3 GLU A 20 -0.009 -14.689 4.080 1.00 30.01 H new ATOM 0 HG2 GLU A 20 -0.765 -13.804 6.031 1.00 63.32 H new ATOM 0 HG3 GLU A 20 -1.698 -12.746 4.991 1.00 63.32 H new ATOM 286 N LEU A 21 0.506 -12.623 2.075 1.00 50.43 N ATOM 287 CA LEU A 21 1.237 -11.386 1.833 1.00 43.13 C ATOM 288 C LEU A 21 0.576 -10.588 0.721 1.00 5.24 C ATOM 289 O LEU A 21 0.372 -9.383 0.848 1.00 44.51 O ATOM 290 CB LEU A 21 2.697 -11.646 1.404 1.00 3.24 C ATOM 291 CG LEU A 21 3.602 -12.646 2.154 1.00 15.24 C ATOM 292 CD1 LEU A 21 4.310 -13.561 1.151 1.00 20.20 C ATOM 293 CD2 LEU A 21 4.705 -11.938 2.955 1.00 64.25 C ATOM 0 H LEU A 21 1.072 -13.466 1.974 1.00 50.43 H new ATOM 0 HA LEU A 21 1.227 -10.836 2.774 1.00 43.13 H new ATOM 0 HB2 LEU A 21 2.667 -11.968 0.363 1.00 3.24 H new ATOM 0 HB3 LEU A 21 3.207 -10.683 1.425 1.00 3.24 H new ATOM 0 HG LEU A 21 2.954 -13.204 2.830 1.00 15.24 H new ATOM 0 HD11 LEU A 21 4.947 -14.264 1.687 1.00 20.20 H new ATOM 0 HD12 LEU A 21 3.567 -14.112 0.574 1.00 20.20 H new ATOM 0 HD13 LEU A 21 4.920 -12.959 0.477 1.00 20.20 H new ATOM 0 HD21 LEU A 21 5.317 -12.681 3.466 1.00 64.25 H new ATOM 0 HD22 LEU A 21 5.330 -11.356 2.278 1.00 64.25 H new ATOM 0 HD23 LEU A 21 4.251 -11.274 3.690 1.00 64.25 H new ATOM 304 N ASN A 22 0.225 -11.282 -0.366 1.00 34.22 N ATOM 305 CA ASN A 22 -0.327 -10.686 -1.573 1.00 70.44 C ATOM 306 C ASN A 22 -1.584 -9.873 -1.281 1.00 21.23 C ATOM 307 O ASN A 22 -1.890 -8.969 -2.052 1.00 5.23 O ATOM 308 CB ASN A 22 -0.640 -11.770 -2.622 1.00 4.43 C ATOM 309 CG ASN A 22 0.614 -12.371 -3.247 1.00 44.31 C ATOM 310 OD1 ASN A 22 1.549 -11.663 -3.609 1.00 55.24 O ATOM 311 ND2 ASN A 22 0.674 -13.683 -3.378 1.00 33.10 N ATOM 0 H ASN A 22 0.321 -12.296 -0.426 1.00 34.22 H new ATOM 0 HA ASN A 22 0.429 -10.009 -1.970 1.00 70.44 H new ATOM 0 HB2 ASN A 22 -1.223 -12.564 -2.154 1.00 4.43 H new ATOM 0 HB3 ASN A 22 -1.261 -11.340 -3.408 1.00 4.43 H new ATOM 0 HD21 ASN A 22 1.503 -14.118 -3.783 1.00 33.10 H new ATOM 0 HD22 ASN A 22 -0.109 -14.262 -3.074 1.00 33.10 H new ATOM 317 N PHE A 23 -2.274 -10.144 -0.172 1.00 52.41 N ATOM 318 CA PHE A 23 -3.556 -9.558 0.152 1.00 45.01 C ATOM 319 C PHE A 23 -3.319 -8.287 0.956 1.00 72.45 C ATOM 320 O PHE A 23 -3.503 -7.166 0.481 1.00 51.15 O ATOM 321 CB PHE A 23 -4.388 -10.602 0.914 1.00 72.15 C ATOM 322 CG PHE A 23 -4.775 -11.786 0.043 1.00 34.22 C ATOM 323 CD1 PHE A 23 -3.851 -12.817 -0.218 1.00 70.45 C ATOM 324 CD2 PHE A 23 -6.037 -11.819 -0.575 1.00 43.13 C ATOM 325 CE1 PHE A 23 -4.188 -13.853 -1.107 1.00 54.12 C ATOM 326 CE2 PHE A 23 -6.383 -12.866 -1.443 1.00 30.42 C ATOM 327 CZ PHE A 23 -5.452 -13.882 -1.714 1.00 63.22 C ATOM 0 H PHE A 23 -1.940 -10.795 0.538 1.00 52.41 H new ATOM 0 HA PHE A 23 -4.115 -9.279 -0.741 1.00 45.01 H new ATOM 0 HB2 PHE A 23 -3.820 -10.958 1.774 1.00 72.15 H new ATOM 0 HB3 PHE A 23 -5.291 -10.130 1.302 1.00 72.15 H new ATOM 0 HD1 PHE A 23 -2.885 -12.812 0.264 1.00 70.45 H new ATOM 0 HD2 PHE A 23 -6.748 -11.030 -0.380 1.00 43.13 H new ATOM 0 HE1 PHE A 23 -3.470 -14.630 -1.323 1.00 54.12 H new ATOM 0 HE2 PHE A 23 -7.361 -12.890 -1.901 1.00 30.42 H new ATOM 0 HZ PHE A 23 -5.709 -14.685 -2.389 1.00 63.22 H new ATOM 336 N LYS A 24 -2.813 -8.460 2.180 1.00 51.32 N ATOM 337 CA LYS A 24 -2.572 -7.371 3.130 1.00 31.01 C ATOM 338 C LYS A 24 -1.743 -6.276 2.471 1.00 62.11 C ATOM 339 O LYS A 24 -2.047 -5.087 2.577 1.00 5.04 O ATOM 340 CB LYS A 24 -1.818 -7.904 4.359 1.00 42.33 C ATOM 341 CG LYS A 24 -2.312 -9.226 4.930 1.00 12.20 C ATOM 342 CD LYS A 24 -3.751 -9.187 5.416 1.00 52.51 C ATOM 343 CE LYS A 24 -4.052 -10.617 5.872 1.00 32.24 C ATOM 344 NZ LYS A 24 -5.462 -11.007 5.673 1.00 12.33 N ATOM 0 H LYS A 24 -2.555 -9.377 2.545 1.00 51.32 H new ATOM 0 HA LYS A 24 -3.533 -6.961 3.441 1.00 31.01 H new ATOM 0 HB2 LYS A 24 -0.767 -8.017 4.094 1.00 42.33 H new ATOM 0 HB3 LYS A 24 -1.869 -7.151 5.145 1.00 42.33 H new ATOM 0 HG2 LYS A 24 -2.217 -9.998 4.167 1.00 12.20 H new ATOM 0 HG3 LYS A 24 -1.667 -9.516 5.759 1.00 12.20 H new ATOM 0 HD2 LYS A 24 -3.872 -8.478 6.235 1.00 52.51 H new ATOM 0 HD3 LYS A 24 -4.428 -8.875 4.621 1.00 52.51 H new ATOM 0 HE2 LYS A 24 -3.410 -11.308 5.326 1.00 32.24 H new ATOM 0 HE3 LYS A 24 -3.800 -10.715 6.928 1.00 32.24 H new ATOM 0 HZ1 LYS A 24 -5.543 -12.043 5.705 1.00 12.33 H new ATOM 0 HZ2 LYS A 24 -6.047 -10.590 6.425 1.00 12.33 H new ATOM 0 HZ3 LYS A 24 -5.790 -10.663 4.748 1.00 12.33 H new ATOM 354 N ALA A 25 -0.693 -6.692 1.763 1.00 65.54 N ATOM 355 CA ALA A 25 0.238 -5.796 1.131 1.00 33.11 C ATOM 356 C ALA A 25 -0.278 -5.222 -0.192 1.00 70.42 C ATOM 357 O ALA A 25 0.538 -4.670 -0.937 1.00 5.40 O ATOM 358 CB ALA A 25 1.566 -6.505 0.943 1.00 25.43 C ATOM 0 H ALA A 25 -0.474 -7.678 1.618 1.00 65.54 H new ATOM 0 HA ALA A 25 0.369 -4.937 1.789 1.00 33.11 H new ATOM 0 HB1 ALA A 25 2.275 -5.829 0.464 1.00 25.43 H new ATOM 0 HB2 ALA A 25 1.956 -6.811 1.914 1.00 25.43 H new ATOM 0 HB3 ALA A 25 1.423 -7.385 0.316 1.00 25.43 H new ATOM 364 N GLU A 26 -1.567 -5.292 -0.525 1.00 42.01 N ATOM 365 CA GLU A 26 -2.151 -4.315 -1.445 1.00 41.43 C ATOM 366 C GLU A 26 -2.742 -3.136 -0.660 1.00 43.44 C ATOM 367 O GLU A 26 -2.415 -1.985 -0.929 1.00 61.34 O ATOM 368 CB GLU A 26 -3.195 -4.945 -2.370 1.00 52.24 C ATOM 369 CG GLU A 26 -2.607 -5.865 -3.439 1.00 24.34 C ATOM 370 CD GLU A 26 -2.020 -5.111 -4.644 1.00 13.33 C ATOM 371 OE1 GLU A 26 -1.181 -4.188 -4.509 1.00 63.40 O ATOM 372 OE2 GLU A 26 -2.393 -5.467 -5.784 1.00 41.11 O ATOM 0 H GLU A 26 -2.216 -5.999 -0.180 1.00 42.01 H new ATOM 0 HA GLU A 26 -1.352 -3.943 -2.086 1.00 41.43 H new ATOM 0 HB2 GLU A 26 -3.904 -5.513 -1.767 1.00 52.24 H new ATOM 0 HB3 GLU A 26 -3.758 -4.150 -2.859 1.00 52.24 H new ATOM 0 HG2 GLU A 26 -1.826 -6.478 -2.989 1.00 24.34 H new ATOM 0 HG3 GLU A 26 -3.384 -6.544 -3.789 1.00 24.34 H new ATOM 377 N ALA A 27 -3.547 -3.380 0.372 1.00 22.22 N ATOM 378 CA ALA A 27 -4.270 -2.320 1.086 1.00 64.54 C ATOM 379 C ALA A 27 -3.357 -1.245 1.707 1.00 52.41 C ATOM 380 O ALA A 27 -3.786 -0.108 1.915 1.00 24.20 O ATOM 381 CB ALA A 27 -5.150 -2.969 2.159 1.00 14.44 C ATOM 0 H ALA A 27 -3.719 -4.316 0.740 1.00 22.22 H new ATOM 0 HA ALA A 27 -4.876 -1.788 0.353 1.00 64.54 H new ATOM 0 HB1 ALA A 27 -5.695 -2.195 2.700 1.00 14.44 H new ATOM 0 HB2 ALA A 27 -5.859 -3.649 1.686 1.00 14.44 H new ATOM 0 HB3 ALA A 27 -4.523 -3.526 2.856 1.00 14.44 H new ATOM 387 N ARG A 28 -2.091 -1.547 2.012 1.00 22.40 N ATOM 388 CA ARG A 28 -1.142 -0.525 2.465 1.00 71.52 C ATOM 389 C ARG A 28 -0.590 0.326 1.315 1.00 41.42 C ATOM 390 O ARG A 28 -0.307 1.503 1.543 1.00 74.13 O ATOM 391 CB ARG A 28 -0.016 -1.155 3.303 1.00 61.33 C ATOM 392 CG ARG A 28 -0.231 -0.942 4.812 1.00 3.32 C ATOM 393 CD ARG A 28 1.116 -0.684 5.481 1.00 10.51 C ATOM 394 NE ARG A 28 0.971 -0.289 6.892 1.00 71.45 N ATOM 395 CZ ARG A 28 1.965 -0.288 7.789 1.00 73.41 C ATOM 396 NH1 ARG A 28 3.215 -0.551 7.435 1.00 63.23 N ATOM 397 NH2 ARG A 28 1.701 -0.004 9.053 1.00 70.22 N ATOM 0 H ARG A 28 -1.701 -2.488 1.954 1.00 22.40 H new ATOM 0 HA ARG A 28 -1.696 0.162 3.105 1.00 71.52 H new ATOM 0 HB2 ARG A 28 0.039 -2.223 3.092 1.00 61.33 H new ATOM 0 HB3 ARG A 28 0.940 -0.723 3.009 1.00 61.33 H new ATOM 0 HG2 ARG A 28 -0.901 -0.099 4.980 1.00 3.32 H new ATOM 0 HG3 ARG A 28 -0.706 -1.819 5.251 1.00 3.32 H new ATOM 0 HD2 ARG A 28 1.729 -1.583 5.419 1.00 10.51 H new ATOM 0 HD3 ARG A 28 1.645 0.100 4.939 1.00 10.51 H new ATOM 0 HE ARG A 28 0.047 0.005 7.209 1.00 71.45 H new ATOM 0 HH11 ARG A 28 3.436 -0.760 6.461 1.00 63.23 H new ATOM 0 HH12 ARG A 28 3.956 -0.544 8.136 1.00 63.23 H new ATOM 0 HH21 ARG A 28 0.746 0.212 9.338 1.00 70.22 H new ATOM 0 HH22 ARG A 28 2.452 -0.001 9.743 1.00 70.22 H new ATOM 408 N ARG A 29 -0.408 -0.196 0.094 1.00 51.23 N ATOM 409 CA ARG A 29 0.333 0.505 -0.962 1.00 33.34 C ATOM 410 C ARG A 29 -0.430 1.760 -1.351 1.00 72.30 C ATOM 411 O ARG A 29 0.201 2.774 -1.619 1.00 14.31 O ATOM 412 CB ARG A 29 0.665 -0.359 -2.205 1.00 53.00 C ATOM 413 CG ARG A 29 -0.545 -1.019 -2.885 1.00 23.34 C ATOM 414 CD ARG A 29 -0.580 -1.015 -4.415 1.00 71.50 C ATOM 415 NE ARG A 29 -1.903 -1.495 -4.864 1.00 72.52 N ATOM 416 CZ ARG A 29 -3.027 -0.764 -4.940 1.00 71.51 C ATOM 417 NH1 ARG A 29 -2.942 0.561 -4.878 1.00 53.02 N ATOM 418 NH2 ARG A 29 -4.220 -1.335 -5.067 1.00 34.23 N ATOM 0 H ARG A 29 -0.767 -1.108 -0.187 1.00 51.23 H new ATOM 0 HA ARG A 29 1.307 0.762 -0.546 1.00 33.34 H new ATOM 0 HB2 ARG A 29 1.176 0.267 -2.937 1.00 53.00 H new ATOM 0 HB3 ARG A 29 1.365 -1.140 -1.908 1.00 53.00 H new ATOM 0 HG2 ARG A 29 -0.597 -2.055 -2.549 1.00 23.34 H new ATOM 0 HG3 ARG A 29 -1.446 -0.522 -2.526 1.00 23.34 H new ATOM 0 HD2 ARG A 29 -0.395 -0.010 -4.794 1.00 71.50 H new ATOM 0 HD3 ARG A 29 0.208 -1.655 -4.812 1.00 71.50 H new ATOM 0 HE ARG A 29 -1.969 -2.474 -5.143 1.00 72.52 H new ATOM 0 HH11 ARG A 29 -2.032 1.009 -4.774 1.00 53.02 H new ATOM 0 HH12 ARG A 29 -3.787 1.129 -4.934 1.00 53.02 H new ATOM 0 HH21 ARG A 29 -4.297 -2.351 -5.109 1.00 34.23 H new ATOM 0 HH22 ARG A 29 -5.059 -0.757 -5.123 1.00 34.23 H new ATOM 429 N ASN A 30 -1.768 1.696 -1.354 1.00 4.15 N ATOM 430 CA ASN A 30 -2.651 2.827 -1.626 1.00 34.21 C ATOM 431 C ASN A 30 -2.298 3.974 -0.690 1.00 5.05 C ATOM 432 O ASN A 30 -2.059 5.095 -1.144 1.00 11.12 O ATOM 433 CB ASN A 30 -4.128 2.426 -1.399 1.00 4.33 C ATOM 434 CG ASN A 30 -4.857 1.944 -2.644 1.00 34.32 C ATOM 435 OD1 ASN A 30 -4.601 2.419 -3.748 1.00 12.12 O ATOM 436 ND2 ASN A 30 -5.722 0.957 -2.519 1.00 32.25 N ATOM 0 H ASN A 30 -2.275 0.832 -1.162 1.00 4.15 H new ATOM 0 HA ASN A 30 -2.522 3.134 -2.664 1.00 34.21 H new ATOM 0 HB2 ASN A 30 -4.164 1.639 -0.646 1.00 4.33 H new ATOM 0 HB3 ASN A 30 -4.664 3.283 -0.990 1.00 4.33 H new ATOM 0 HD21 ASN A 30 -6.187 0.579 -3.344 1.00 32.25 H new ATOM 0 HD22 ASN A 30 -5.926 0.571 -1.597 1.00 32.25 H new ATOM 442 N ARG A 31 -2.235 3.684 0.615 1.00 64.34 N ATOM 443 CA ARG A 31 -1.894 4.648 1.650 1.00 32.15 C ATOM 444 C ARG A 31 -0.494 5.190 1.399 1.00 24.24 C ATOM 445 O ARG A 31 -0.342 6.399 1.263 1.00 5.24 O ATOM 446 CB ARG A 31 -2.045 4.001 3.044 1.00 53.33 C ATOM 447 CG ARG A 31 -2.404 5.028 4.128 1.00 42.04 C ATOM 448 CD ARG A 31 -1.245 5.929 4.571 1.00 13.33 C ATOM 449 NE ARG A 31 -1.767 7.246 4.954 1.00 25.44 N ATOM 450 CZ ARG A 31 -1.255 8.062 5.875 1.00 34.43 C ATOM 451 NH1 ARG A 31 -0.013 7.910 6.317 1.00 72.10 N ATOM 452 NH2 ARG A 31 -1.995 9.045 6.361 1.00 3.33 N ATOM 0 H ARG A 31 -2.425 2.751 0.981 1.00 64.34 H new ATOM 0 HA ARG A 31 -2.580 5.495 1.619 1.00 32.15 H new ATOM 0 HB2 ARG A 31 -2.818 3.233 3.004 1.00 53.33 H new ATOM 0 HB3 ARG A 31 -1.114 3.502 3.313 1.00 53.33 H new ATOM 0 HG2 ARG A 31 -3.214 5.657 3.758 1.00 42.04 H new ATOM 0 HG3 ARG A 31 -2.786 4.497 5.000 1.00 42.04 H new ATOM 0 HD2 ARG A 31 -0.719 5.476 5.412 1.00 13.33 H new ATOM 0 HD3 ARG A 31 -0.522 6.034 3.762 1.00 13.33 H new ATOM 0 HE ARG A 31 -2.604 7.568 4.468 1.00 25.44 H new ATOM 0 HH11 ARG A 31 0.570 7.157 5.951 1.00 72.10 H new ATOM 0 HH12 ARG A 31 0.359 8.546 7.022 1.00 72.10 H new ATOM 0 HH21 ARG A 31 -2.951 9.175 6.031 1.00 3.33 H new ATOM 0 HH22 ARG A 31 -1.609 9.673 7.066 1.00 3.33 H new ATOM 463 N LEU A 32 0.518 4.316 1.329 1.00 4.33 N ATOM 464 CA LEU A 32 1.931 4.676 1.141 1.00 54.03 C ATOM 465 C LEU A 32 2.113 5.593 -0.078 1.00 22.15 C ATOM 466 O LEU A 32 2.993 6.453 -0.075 1.00 1.14 O ATOM 467 CB LEU A 32 2.781 3.397 0.965 1.00 61.13 C ATOM 468 CG LEU A 32 3.417 2.779 2.230 1.00 41.12 C ATOM 469 CD1 LEU A 32 2.457 2.554 3.402 1.00 11.42 C ATOM 470 CD2 LEU A 32 4.042 1.422 1.867 1.00 74.43 C ATOM 0 H LEU A 32 0.373 3.309 1.404 1.00 4.33 H new ATOM 0 HA LEU A 32 2.264 5.216 2.027 1.00 54.03 H new ATOM 0 HB2 LEU A 32 2.152 2.638 0.500 1.00 61.13 H new ATOM 0 HB3 LEU A 32 3.583 3.621 0.262 1.00 61.13 H new ATOM 0 HG LEU A 32 4.151 3.511 2.567 1.00 41.12 H new ATOM 0 HD11 LEU A 32 3.001 2.117 4.239 1.00 11.42 H new ATOM 0 HD12 LEU A 32 2.026 3.507 3.707 1.00 11.42 H new ATOM 0 HD13 LEU A 32 1.660 1.877 3.095 1.00 11.42 H new ATOM 0 HD21 LEU A 32 4.493 0.980 2.755 1.00 74.43 H new ATOM 0 HD22 LEU A 32 3.269 0.756 1.483 1.00 74.43 H new ATOM 0 HD23 LEU A 32 4.808 1.566 1.105 1.00 74.43 H new ATOM 481 N LEU A 33 1.314 5.411 -1.132 1.00 63.53 N ATOM 482 CA LEU A 33 1.359 6.212 -2.339 1.00 74.41 C ATOM 483 C LEU A 33 0.667 7.557 -2.104 1.00 53.30 C ATOM 484 O LEU A 33 1.145 8.593 -2.558 1.00 62.21 O ATOM 485 CB LEU A 33 0.644 5.407 -3.436 1.00 5.13 C ATOM 486 CG LEU A 33 1.649 4.563 -4.237 1.00 23.51 C ATOM 487 CD1 LEU A 33 0.998 3.470 -5.068 1.00 30.34 C ATOM 488 CD2 LEU A 33 2.491 5.403 -5.192 1.00 52.01 C ATOM 0 H LEU A 33 0.602 4.681 -1.162 1.00 63.53 H new ATOM 0 HA LEU A 33 2.386 6.426 -2.634 1.00 74.41 H new ATOM 0 HB2 LEU A 33 -0.106 4.757 -2.986 1.00 5.13 H new ATOM 0 HB3 LEU A 33 0.117 6.086 -4.106 1.00 5.13 H new ATOM 0 HG LEU A 33 2.275 4.114 -3.466 1.00 23.51 H new ATOM 0 HD11 LEU A 33 1.767 2.915 -5.606 1.00 30.34 H new ATOM 0 HD12 LEU A 33 0.452 2.791 -4.413 1.00 30.34 H new ATOM 0 HD13 LEU A 33 0.307 3.918 -5.782 1.00 30.34 H new ATOM 0 HD21 LEU A 33 3.183 4.756 -5.732 1.00 52.01 H new ATOM 0 HD22 LEU A 33 1.838 5.910 -5.903 1.00 52.01 H new ATOM 0 HD23 LEU A 33 3.054 6.144 -4.625 1.00 52.01 H new ATOM 499 N GLY A 34 -0.428 7.566 -1.343 1.00 74.51 N ATOM 500 CA GLY A 34 -1.170 8.759 -0.974 1.00 4.44 C ATOM 501 C GLY A 34 -0.307 9.761 -0.218 1.00 52.41 C ATOM 502 O GLY A 34 -0.283 10.938 -0.564 1.00 74.20 O ATOM 0 H GLY A 34 -0.831 6.712 -0.957 1.00 74.51 H new ATOM 0 HA2 GLY A 34 -1.568 9.230 -1.873 1.00 4.44 H new ATOM 0 HA3 GLY A 34 -2.023 8.478 -0.357 1.00 4.44 H new ATOM 506 N GLU A 35 0.389 9.315 0.829 1.00 23.43 N ATOM 507 CA GLU A 35 1.223 10.196 1.646 1.00 63.42 C ATOM 508 C GLU A 35 2.467 10.690 0.896 1.00 12.25 C ATOM 509 O GLU A 35 2.970 11.765 1.225 1.00 72.14 O ATOM 510 CB GLU A 35 1.574 9.563 3.007 1.00 43.21 C ATOM 511 CG GLU A 35 1.903 8.071 2.905 1.00 44.31 C ATOM 512 CD GLU A 35 2.794 7.548 4.017 1.00 74.43 C ATOM 513 OE1 GLU A 35 2.277 7.126 5.076 1.00 75.52 O ATOM 514 OE2 GLU A 35 4.028 7.510 3.828 1.00 11.15 O ATOM 0 H GLU A 35 0.391 8.341 1.132 1.00 23.43 H new ATOM 0 HA GLU A 35 0.623 11.081 1.857 1.00 63.42 H new ATOM 0 HB2 GLU A 35 2.426 10.089 3.437 1.00 43.21 H new ATOM 0 HB3 GLU A 35 0.737 9.699 3.692 1.00 43.21 H new ATOM 0 HG2 GLU A 35 0.971 7.505 2.906 1.00 44.31 H new ATOM 0 HG3 GLU A 35 2.389 7.883 1.948 1.00 44.31 H new ATOM 519 N TRP A 36 2.941 9.974 -0.131 1.00 14.23 N ATOM 520 CA TRP A 36 3.893 10.527 -1.095 1.00 24.22 C ATOM 521 C TRP A 36 3.187 11.657 -1.847 1.00 1.03 C ATOM 522 O TRP A 36 3.558 12.820 -1.687 1.00 35.11 O ATOM 523 CB TRP A 36 4.425 9.422 -2.028 1.00 51.14 C ATOM 524 CG TRP A 36 5.079 9.845 -3.311 1.00 44.24 C ATOM 525 CD1 TRP A 36 6.156 10.655 -3.431 1.00 41.21 C ATOM 526 CD2 TRP A 36 4.694 9.489 -4.676 1.00 53.13 C ATOM 527 NE1 TRP A 36 6.468 10.806 -4.768 1.00 42.23 N ATOM 528 CE2 TRP A 36 5.595 10.122 -5.582 1.00 44.34 C ATOM 529 CE3 TRP A 36 3.670 8.703 -5.249 1.00 33.14 C ATOM 530 CZ2 TRP A 36 5.436 10.046 -6.976 1.00 23.22 C ATOM 531 CZ3 TRP A 36 3.637 8.466 -6.628 1.00 55.14 C ATOM 532 CH2 TRP A 36 4.454 9.200 -7.506 1.00 34.35 C ATOM 0 H TRP A 36 2.677 9.006 -0.314 1.00 14.23 H new ATOM 0 HA TRP A 36 4.771 10.935 -0.593 1.00 24.22 H new ATOM 0 HB2 TRP A 36 5.144 8.826 -1.466 1.00 51.14 H new ATOM 0 HB3 TRP A 36 3.592 8.764 -2.277 1.00 51.14 H new ATOM 0 HD1 TRP A 36 6.688 11.112 -2.610 1.00 41.21 H new ATOM 0 HE1 TRP A 36 7.253 11.359 -5.111 1.00 42.23 H new ATOM 0 HE3 TRP A 36 2.904 8.280 -4.616 1.00 33.14 H new ATOM 0 HZ2 TRP A 36 6.063 10.633 -7.631 1.00 23.22 H new ATOM 0 HZ3 TRP A 36 2.975 7.709 -7.023 1.00 55.14 H new ATOM 0 HH2 TRP A 36 4.326 9.112 -8.575 1.00 34.35 H new ATOM 542 N ALA A 37 2.144 11.321 -2.610 1.00 72.34 N ATOM 543 CA ALA A 37 1.458 12.215 -3.527 1.00 42.04 C ATOM 544 C ALA A 37 0.951 13.495 -2.856 1.00 70.52 C ATOM 545 O ALA A 37 1.068 14.561 -3.448 1.00 1.44 O ATOM 546 CB ALA A 37 0.330 11.446 -4.219 1.00 23.15 C ATOM 0 H ALA A 37 1.744 10.383 -2.601 1.00 72.34 H new ATOM 0 HA ALA A 37 2.177 12.555 -4.272 1.00 42.04 H new ATOM 0 HB1 ALA A 37 -0.192 12.108 -4.910 1.00 23.15 H new ATOM 0 HB2 ALA A 37 0.749 10.604 -4.770 1.00 23.15 H new ATOM 0 HB3 ALA A 37 -0.371 11.077 -3.471 1.00 23.15 H new ATOM 552 N ALA A 38 0.466 13.438 -1.616 1.00 33.53 N ATOM 553 CA ALA A 38 0.031 14.602 -0.852 1.00 42.21 C ATOM 554 C ALA A 38 1.079 15.727 -0.882 1.00 41.41 C ATOM 555 O ALA A 38 0.752 16.887 -1.157 1.00 33.54 O ATOM 556 CB ALA A 38 -0.257 14.165 0.586 1.00 2.45 C ATOM 0 H ALA A 38 0.363 12.561 -1.105 1.00 33.53 H new ATOM 0 HA ALA A 38 -0.875 15.005 -1.306 1.00 42.21 H new ATOM 0 HB1 ALA A 38 -0.584 15.026 1.169 1.00 2.45 H new ATOM 0 HB2 ALA A 38 -1.041 13.408 0.586 1.00 2.45 H new ATOM 0 HB3 ALA A 38 0.648 13.749 1.028 1.00 2.45 H new ATOM 562 N GLY A 39 2.349 15.378 -0.663 1.00 32.15 N ATOM 563 CA GLY A 39 3.453 16.329 -0.655 1.00 33.45 C ATOM 564 C GLY A 39 3.843 16.833 -2.045 1.00 14.05 C ATOM 565 O GLY A 39 4.674 17.730 -2.168 1.00 43.13 O ATOM 0 H GLY A 39 2.638 14.416 -0.485 1.00 32.15 H new ATOM 0 HA2 GLY A 39 3.181 17.182 -0.033 1.00 33.45 H new ATOM 0 HA3 GLY A 39 4.321 15.860 -0.192 1.00 33.45 H new ATOM 569 N LEU A 40 3.268 16.270 -3.105 1.00 43.23 N ATOM 570 CA LEU A 40 3.478 16.667 -4.494 1.00 12.02 C ATOM 571 C LEU A 40 2.395 17.651 -4.924 1.00 61.40 C ATOM 572 O LEU A 40 2.697 18.634 -5.595 1.00 2.45 O ATOM 573 CB LEU A 40 3.423 15.437 -5.412 1.00 4.22 C ATOM 574 CG LEU A 40 4.341 14.280 -5.016 1.00 3.25 C ATOM 575 CD1 LEU A 40 4.055 13.105 -5.946 1.00 60.22 C ATOM 576 CD2 LEU A 40 5.824 14.639 -5.108 1.00 54.30 C ATOM 0 H LEU A 40 2.615 15.491 -3.015 1.00 43.23 H new ATOM 0 HA LEU A 40 4.458 17.138 -4.573 1.00 12.02 H new ATOM 0 HB2 LEU A 40 2.397 15.071 -5.439 1.00 4.22 H new ATOM 0 HB3 LEU A 40 3.677 15.749 -6.425 1.00 4.22 H new ATOM 0 HG LEU A 40 4.137 14.032 -3.975 1.00 3.25 H new ATOM 0 HD11 LEU A 40 4.699 12.267 -5.682 1.00 60.22 H new ATOM 0 HD12 LEU A 40 3.012 12.807 -5.845 1.00 60.22 H new ATOM 0 HD13 LEU A 40 4.249 13.401 -6.977 1.00 60.22 H new ATOM 0 HD21 LEU A 40 6.426 13.779 -4.815 1.00 54.30 H new ATOM 0 HD22 LEU A 40 6.067 14.920 -6.133 1.00 54.30 H new ATOM 0 HD23 LEU A 40 6.038 15.475 -4.442 1.00 54.30 H new ATOM 587 N LEU A 41 1.137 17.391 -4.539 1.00 62.30 N ATOM 588 CA LEU A 41 0.012 18.296 -4.793 1.00 62.40 C ATOM 589 C LEU A 41 0.220 19.608 -4.052 1.00 65.30 C ATOM 590 O LEU A 41 -0.186 20.660 -4.548 1.00 44.32 O ATOM 591 CB LEU A 41 -1.323 17.698 -4.339 1.00 63.42 C ATOM 592 CG LEU A 41 -1.958 16.652 -5.264 1.00 44.40 C ATOM 593 CD1 LEU A 41 -2.189 17.126 -6.699 1.00 63.34 C ATOM 594 CD2 LEU A 41 -1.222 15.329 -5.262 1.00 13.41 C ATOM 0 H LEU A 41 0.872 16.542 -4.040 1.00 62.30 H new ATOM 0 HA LEU A 41 -0.025 18.459 -5.870 1.00 62.40 H new ATOM 0 HB2 LEU A 41 -1.177 17.242 -3.360 1.00 63.42 H new ATOM 0 HB3 LEU A 41 -2.034 18.513 -4.208 1.00 63.42 H new ATOM 0 HG LEU A 41 -2.943 16.497 -4.824 1.00 44.40 H new ATOM 0 HD11 LEU A 41 -2.641 16.322 -7.280 1.00 63.34 H new ATOM 0 HD12 LEU A 41 -2.855 17.989 -6.694 1.00 63.34 H new ATOM 0 HD13 LEU A 41 -1.236 17.406 -7.148 1.00 63.34 H new ATOM 0 HD21 LEU A 41 -1.722 14.634 -5.936 1.00 13.41 H new ATOM 0 HD22 LEU A 41 -0.196 15.483 -5.595 1.00 13.41 H new ATOM 0 HD23 LEU A 41 -1.218 14.917 -4.253 1.00 13.41 H new ATOM 605 N GLY A 42 0.842 19.531 -2.879 1.00 13.41 N ATOM 606 CA GLY A 42 1.342 20.678 -2.130 1.00 32.32 C ATOM 607 C GLY A 42 0.762 20.801 -0.741 1.00 42.41 C ATOM 608 O GLY A 42 0.765 21.899 -0.180 1.00 41.24 O ATOM 0 H GLY A 42 1.017 18.642 -2.410 1.00 13.41 H new ATOM 0 HA2 GLY A 42 2.427 20.606 -2.055 1.00 32.32 H new ATOM 0 HA3 GLY A 42 1.121 21.588 -2.688 1.00 32.32 H new ATOM 612 N LYS A 43 0.255 19.701 -0.185 1.00 61.31 N ATOM 613 CA LYS A 43 -0.480 19.730 1.064 1.00 4.24 C ATOM 614 C LYS A 43 0.446 19.971 2.255 1.00 21.34 C ATOM 615 O LYS A 43 1.660 19.781 2.142 1.00 25.44 O ATOM 616 CB LYS A 43 -1.235 18.405 1.241 1.00 63.52 C ATOM 617 CG LYS A 43 -2.169 17.992 0.094 1.00 41.14 C ATOM 618 CD LYS A 43 -3.258 19.018 -0.232 1.00 30.14 C ATOM 619 CE LYS A 43 -4.066 18.445 -1.395 1.00 3.25 C ATOM 620 NZ LYS A 43 -5.137 19.350 -1.838 1.00 2.34 N ATOM 0 H LYS A 43 0.346 18.770 -0.592 1.00 61.31 H new ATOM 0 HA LYS A 43 -1.189 20.557 1.026 1.00 4.24 H new ATOM 0 HB2 LYS A 43 -0.502 17.611 1.387 1.00 63.52 H new ATOM 0 HB3 LYS A 43 -1.824 18.467 2.156 1.00 63.52 H new ATOM 0 HG2 LYS A 43 -1.571 17.817 -0.801 1.00 41.14 H new ATOM 0 HG3 LYS A 43 -2.644 17.045 0.350 1.00 41.14 H new ATOM 0 HD2 LYS A 43 -3.897 19.193 0.634 1.00 30.14 H new ATOM 0 HD3 LYS A 43 -2.817 19.978 -0.502 1.00 30.14 H new ATOM 0 HE2 LYS A 43 -3.398 18.242 -2.232 1.00 3.25 H new ATOM 0 HE3 LYS A 43 -4.501 17.492 -1.096 1.00 3.25 H new ATOM 0 HZ1 LYS A 43 -5.655 18.915 -2.628 1.00 2.34 H new ATOM 0 HZ2 LYS A 43 -5.792 19.525 -1.049 1.00 2.34 H new ATOM 0 HZ3 LYS A 43 -4.723 20.251 -2.150 1.00 2.34 H new ATOM 630 N THR A 44 -0.125 20.292 3.415 1.00 25.13 N ATOM 631 CA THR A 44 0.618 20.472 4.659 1.00 74.52 C ATOM 632 C THR A 44 -0.216 19.988 5.845 1.00 70.20 C ATOM 633 O THR A 44 -1.440 20.099 5.815 1.00 44.02 O ATOM 634 CB THR A 44 0.956 21.966 4.849 1.00 14.32 C ATOM 635 OG1 THR A 44 -0.193 22.778 4.666 1.00 73.34 O ATOM 636 CG2 THR A 44 2.055 22.467 3.907 1.00 52.03 C ATOM 0 H THR A 44 -1.130 20.436 3.517 1.00 25.13 H new ATOM 0 HA THR A 44 1.538 19.890 4.607 1.00 74.52 H new ATOM 0 HB THR A 44 1.323 22.047 5.872 1.00 14.32 H new ATOM 0 HG1 THR A 44 0.048 23.719 4.794 1.00 73.34 H new ATOM 0 HG21 THR A 44 2.241 23.524 4.095 1.00 52.03 H new ATOM 0 HG22 THR A 44 2.970 21.901 4.081 1.00 52.03 H new ATOM 0 HG23 THR A 44 1.737 22.333 2.873 1.00 52.03 H new ATOM 644 N GLY A 45 0.431 19.564 6.929 1.00 11.13 N ATOM 645 CA GLY A 45 -0.172 19.391 8.234 1.00 63.40 C ATOM 646 C GLY A 45 -1.127 18.216 8.207 1.00 62.24 C ATOM 647 O GLY A 45 -0.684 17.068 8.221 1.00 2.25 O ATOM 0 H GLY A 45 1.423 19.325 6.914 1.00 11.13 H new ATOM 0 HA2 GLY A 45 0.602 19.225 8.983 1.00 63.40 H new ATOM 0 HA3 GLY A 45 -0.705 20.298 8.522 1.00 63.40 H new ATOM 651 N ASP A 46 -2.423 18.497 8.133 1.00 13.44 N ATOM 652 CA ASP A 46 -3.487 17.502 8.185 1.00 63.50 C ATOM 653 C ASP A 46 -4.251 17.390 6.868 1.00 42.11 C ATOM 654 O ASP A 46 -4.828 16.337 6.596 1.00 70.53 O ATOM 655 CB ASP A 46 -4.428 17.749 9.367 1.00 52.13 C ATOM 656 CG ASP A 46 -5.038 19.147 9.449 1.00 61.31 C ATOM 657 OD1 ASP A 46 -5.258 19.802 8.406 1.00 53.23 O ATOM 658 OD2 ASP A 46 -5.269 19.611 10.585 1.00 54.43 O ATOM 0 H ASP A 46 -2.772 19.450 8.032 1.00 13.44 H new ATOM 0 HA ASP A 46 -3.005 16.537 8.343 1.00 63.50 H new ATOM 0 HB2 ASP A 46 -5.238 17.022 9.320 1.00 52.13 H new ATOM 0 HB3 ASP A 46 -3.880 17.557 10.290 1.00 52.13 H new ATOM 662 N ASP A 47 -4.137 18.383 5.987 1.00 70.24 N ATOM 663 CA ASP A 47 -4.581 18.319 4.590 1.00 31.51 C ATOM 664 C ASP A 47 -3.900 17.149 3.887 1.00 22.25 C ATOM 665 O ASP A 47 -4.489 16.446 3.067 1.00 71.23 O ATOM 666 CB ASP A 47 -4.182 19.603 3.843 1.00 54.40 C ATOM 667 CG ASP A 47 -5.365 20.443 3.400 1.00 74.11 C ATOM 668 OD1 ASP A 47 -6.265 19.903 2.722 1.00 3.44 O ATOM 669 OD2 ASP A 47 -5.361 21.662 3.689 1.00 61.20 O ATOM 0 H ASP A 47 -3.721 19.282 6.230 1.00 70.24 H new ATOM 0 HA ASP A 47 -5.664 18.199 4.584 1.00 31.51 H new ATOM 0 HB2 ASP A 47 -3.542 20.204 4.489 1.00 54.40 H new ATOM 0 HB3 ASP A 47 -3.590 19.335 2.968 1.00 54.40 H new ATOM 673 N ALA A 48 -2.622 16.940 4.212 1.00 52.12 N ATOM 674 CA ALA A 48 -1.828 15.888 3.618 1.00 23.13 C ATOM 675 C ALA A 48 -2.302 14.528 4.113 1.00 62.42 C ATOM 676 O ALA A 48 -2.295 13.550 3.362 1.00 32.21 O ATOM 677 CB ALA A 48 -0.363 16.100 3.992 1.00 5.11 C ATOM 0 H ALA A 48 -2.117 17.502 4.897 1.00 52.12 H new ATOM 0 HA ALA A 48 -1.937 15.917 2.534 1.00 23.13 H new ATOM 0 HB1 ALA A 48 0.244 15.311 3.548 1.00 5.11 H new ATOM 0 HB2 ALA A 48 -0.029 17.068 3.619 1.00 5.11 H new ATOM 0 HB3 ALA A 48 -0.257 16.073 5.076 1.00 5.11 H new ATOM 683 N ARG A 49 -2.712 14.467 5.384 1.00 50.24 N ATOM 684 CA ARG A 49 -3.238 13.247 5.966 1.00 2.34 C ATOM 685 C ARG A 49 -4.565 12.918 5.313 1.00 44.21 C ATOM 686 O ARG A 49 -4.724 11.772 4.910 1.00 25.23 O ATOM 687 CB ARG A 49 -3.358 13.351 7.495 1.00 30.43 C ATOM 688 CG ARG A 49 -1.998 13.557 8.182 1.00 10.14 C ATOM 689 CD ARG A 49 -2.096 13.428 9.709 1.00 22.43 C ATOM 690 NE ARG A 49 -2.436 12.061 10.151 1.00 13.44 N ATOM 691 CZ ARG A 49 -2.959 11.736 11.343 1.00 14.33 C ATOM 692 NH1 ARG A 49 -3.105 12.650 12.294 1.00 45.33 N ATOM 693 NH2 ARG A 49 -3.327 10.482 11.591 1.00 44.12 N ATOM 0 H ARG A 49 -2.686 15.259 6.026 1.00 50.24 H new ATOM 0 HA ARG A 49 -2.541 12.431 5.774 1.00 2.34 H new ATOM 0 HB2 ARG A 49 -4.018 14.180 7.748 1.00 30.43 H new ATOM 0 HB3 ARG A 49 -3.823 12.444 7.882 1.00 30.43 H new ATOM 0 HG2 ARG A 49 -1.286 12.825 7.802 1.00 10.14 H new ATOM 0 HG3 ARG A 49 -1.609 14.543 7.926 1.00 10.14 H new ATOM 0 HD2 ARG A 49 -1.146 13.722 10.155 1.00 22.43 H new ATOM 0 HD3 ARG A 49 -2.851 14.122 10.079 1.00 22.43 H new ATOM 0 HE ARG A 49 -2.258 11.300 9.495 1.00 13.44 H new ATOM 0 HH11 ARG A 49 -2.818 13.614 12.123 1.00 45.33 H new ATOM 0 HH12 ARG A 49 -3.504 12.389 13.196 1.00 45.33 H new ATOM 0 HH21 ARG A 49 -3.212 9.765 10.874 1.00 44.12 H new ATOM 0 HH22 ARG A 49 -3.724 10.237 12.498 1.00 44.12 H new ATOM 704 N ALA A 50 -5.457 13.902 5.155 1.00 33.52 N ATOM 705 CA ALA A 50 -6.728 13.739 4.467 1.00 5.05 C ATOM 706 C ALA A 50 -6.494 13.102 3.104 1.00 74.34 C ATOM 707 O ALA A 50 -6.998 12.013 2.850 1.00 11.15 O ATOM 708 CB ALA A 50 -7.451 15.082 4.328 1.00 24.14 C ATOM 0 H ALA A 50 -5.307 14.846 5.510 1.00 33.52 H new ATOM 0 HA ALA A 50 -7.367 13.082 5.057 1.00 5.05 H new ATOM 0 HB1 ALA A 50 -8.399 14.933 3.810 1.00 24.14 H new ATOM 0 HB2 ALA A 50 -7.640 15.498 5.318 1.00 24.14 H new ATOM 0 HB3 ALA A 50 -6.830 15.772 3.757 1.00 24.14 H new ATOM 714 N TYR A 51 -5.676 13.738 2.255 1.00 54.10 N ATOM 715 CA TYR A 51 -5.350 13.249 0.919 1.00 22.35 C ATOM 716 C TYR A 51 -4.887 11.783 0.980 1.00 25.21 C ATOM 717 O TYR A 51 -5.413 10.941 0.247 1.00 31.34 O ATOM 718 CB TYR A 51 -4.292 14.170 0.286 1.00 42.03 C ATOM 719 CG TYR A 51 -3.952 13.810 -1.153 1.00 54.44 C ATOM 720 CD1 TYR A 51 -3.154 12.679 -1.421 1.00 63.23 C ATOM 721 CD2 TYR A 51 -4.463 14.582 -2.218 1.00 32.41 C ATOM 722 CE1 TYR A 51 -2.915 12.289 -2.746 1.00 14.31 C ATOM 723 CE2 TYR A 51 -4.168 14.231 -3.549 1.00 51.04 C ATOM 724 CZ TYR A 51 -3.412 13.068 -3.813 1.00 52.43 C ATOM 725 OH TYR A 51 -3.150 12.703 -5.092 1.00 44.02 O ATOM 0 H TYR A 51 -5.218 14.620 2.485 1.00 54.10 H new ATOM 0 HA TYR A 51 -6.238 13.271 0.288 1.00 22.35 H new ATOM 0 HB2 TYR A 51 -4.651 15.198 0.319 1.00 42.03 H new ATOM 0 HB3 TYR A 51 -3.383 14.131 0.886 1.00 42.03 H new ATOM 0 HD1 TYR A 51 -2.727 12.113 -0.606 1.00 63.23 H new ATOM 0 HD2 TYR A 51 -5.081 15.443 -2.012 1.00 32.41 H new ATOM 0 HE1 TYR A 51 -2.350 11.392 -2.951 1.00 14.31 H new ATOM 0 HE2 TYR A 51 -4.518 14.848 -4.364 1.00 51.04 H new ATOM 0 HH TYR A 51 -3.928 12.239 -5.466 1.00 44.02 H new ATOM 734 N ALA A 52 -3.920 11.463 1.849 1.00 51.14 N ATOM 735 CA ALA A 52 -3.355 10.131 2.051 1.00 33.32 C ATOM 736 C ALA A 52 -4.283 9.142 2.752 1.00 54.14 C ATOM 737 O ALA A 52 -3.839 8.043 3.104 1.00 44.20 O ATOM 738 CB ALA A 52 -2.075 10.272 2.884 1.00 22.11 C ATOM 0 H ALA A 52 -3.493 12.162 2.457 1.00 51.14 H new ATOM 0 HA ALA A 52 -3.171 9.722 1.058 1.00 33.32 H new ATOM 0 HB1 ALA A 52 -1.636 9.287 3.047 1.00 22.11 H new ATOM 0 HB2 ALA A 52 -1.363 10.903 2.353 1.00 22.11 H new ATOM 0 HB3 ALA A 52 -2.315 10.726 3.846 1.00 22.11 H new ATOM 744 N LEU A 53 -5.521 9.521 3.042 1.00 23.14 N ATOM 745 CA LEU A 53 -6.531 8.695 3.685 1.00 32.42 C ATOM 746 C LEU A 53 -7.826 8.866 2.895 1.00 42.14 C ATOM 747 O LEU A 53 -8.885 9.097 3.474 1.00 73.41 O ATOM 748 CB LEU A 53 -6.672 9.091 5.174 1.00 4.34 C ATOM 749 CG LEU A 53 -5.399 8.816 5.999 1.00 30.55 C ATOM 750 CD1 LEU A 53 -5.390 9.581 7.324 1.00 4.02 C ATOM 751 CD2 LEU A 53 -5.188 7.320 6.259 1.00 24.45 C ATOM 0 H LEU A 53 -5.863 10.457 2.824 1.00 23.14 H new ATOM 0 HA LEU A 53 -6.255 7.641 3.682 1.00 32.42 H new ATOM 0 HB2 LEU A 53 -6.918 10.151 5.240 1.00 4.34 H new ATOM 0 HB3 LEU A 53 -7.506 8.543 5.612 1.00 4.34 H new ATOM 0 HG LEU A 53 -4.570 9.178 5.391 1.00 30.55 H new ATOM 0 HD11 LEU A 53 -4.473 9.354 7.869 1.00 4.02 H new ATOM 0 HD12 LEU A 53 -5.439 10.652 7.126 1.00 4.02 H new ATOM 0 HD13 LEU A 53 -6.251 9.283 7.922 1.00 4.02 H new ATOM 0 HD21 LEU A 53 -4.279 7.177 6.843 1.00 24.45 H new ATOM 0 HD22 LEU A 53 -6.040 6.923 6.810 1.00 24.45 H new ATOM 0 HD23 LEU A 53 -5.094 6.795 5.308 1.00 24.45 H new ATOM 762 N THR A 54 -7.765 8.772 1.563 1.00 63.42 N ATOM 763 CA THR A 54 -8.944 8.829 0.714 1.00 4.11 C ATOM 764 C THR A 54 -9.132 7.419 0.192 1.00 44.01 C ATOM 765 O THR A 54 -10.117 6.760 0.511 1.00 64.50 O ATOM 766 CB THR A 54 -8.788 9.873 -0.414 1.00 21.41 C ATOM 767 OG1 THR A 54 -7.521 9.807 -1.050 1.00 25.11 O ATOM 768 CG2 THR A 54 -8.973 11.299 0.098 1.00 54.04 C ATOM 0 H THR A 54 -6.892 8.654 1.049 1.00 63.42 H new ATOM 0 HA THR A 54 -9.826 9.158 1.263 1.00 4.11 H new ATOM 0 HB THR A 54 -9.569 9.626 -1.133 1.00 21.41 H new ATOM 0 HG1 THR A 54 -6.870 10.330 -0.537 1.00 25.11 H new ATOM 0 HG21 THR A 54 -8.855 12.000 -0.728 1.00 54.04 H new ATOM 0 HG22 THR A 54 -9.970 11.406 0.525 1.00 54.04 H new ATOM 0 HG23 THR A 54 -8.226 11.511 0.863 1.00 54.04 H new ATOM 776 N VAL A 55 -8.166 6.923 -0.573 1.00 64.51 N ATOM 777 CA VAL A 55 -8.306 5.689 -1.326 1.00 1.03 C ATOM 778 C VAL A 55 -7.870 4.473 -0.504 1.00 72.24 C ATOM 779 O VAL A 55 -7.079 3.650 -0.951 1.00 71.32 O ATOM 780 CB VAL A 55 -7.620 5.840 -2.687 1.00 4.41 C ATOM 781 CG1 VAL A 55 -8.333 6.910 -3.529 1.00 33.13 C ATOM 782 CG2 VAL A 55 -6.122 6.168 -2.654 1.00 72.24 C ATOM 0 H VAL A 55 -7.257 7.372 -0.687 1.00 64.51 H new ATOM 0 HA VAL A 55 -9.357 5.494 -1.537 1.00 1.03 H new ATOM 0 HB VAL A 55 -7.699 4.847 -3.130 1.00 4.41 H new ATOM 0 HG11 VAL A 55 -7.834 7.006 -4.493 1.00 33.13 H new ATOM 0 HG12 VAL A 55 -9.371 6.618 -3.685 1.00 33.13 H new ATOM 0 HG13 VAL A 55 -8.300 7.866 -3.006 1.00 33.13 H new ATOM 0 HG21 VAL A 55 -5.745 6.251 -3.673 1.00 72.24 H new ATOM 0 HG22 VAL A 55 -5.968 7.112 -2.132 1.00 72.24 H new ATOM 0 HG23 VAL A 55 -5.587 5.374 -2.133 1.00 72.24 H new ATOM 792 N VAL A 56 -8.338 4.381 0.739 1.00 54.23 N ATOM 793 CA VAL A 56 -7.946 3.340 1.677 1.00 32.45 C ATOM 794 C VAL A 56 -8.992 3.227 2.785 1.00 1.24 C ATOM 795 O VAL A 56 -8.910 3.867 3.836 1.00 5.41 O ATOM 796 CB VAL A 56 -6.488 3.542 2.155 1.00 33.31 C ATOM 797 CG1 VAL A 56 -6.201 4.893 2.828 1.00 53.43 C ATOM 798 CG2 VAL A 56 -6.022 2.389 3.056 1.00 12.44 C ATOM 0 H VAL A 56 -9.012 5.041 1.126 1.00 54.23 H new ATOM 0 HA VAL A 56 -7.931 2.367 1.186 1.00 32.45 H new ATOM 0 HB VAL A 56 -5.906 3.545 1.233 1.00 33.31 H new ATOM 0 HG11 VAL A 56 -5.153 4.936 3.126 1.00 53.43 H new ATOM 0 HG12 VAL A 56 -6.412 5.701 2.127 1.00 53.43 H new ATOM 0 HG13 VAL A 56 -6.834 5.002 3.709 1.00 53.43 H new ATOM 0 HG21 VAL A 56 -4.994 2.566 3.372 1.00 12.44 H new ATOM 0 HG22 VAL A 56 -6.666 2.330 3.934 1.00 12.44 H new ATOM 0 HG23 VAL A 56 -6.075 1.451 2.503 1.00 12.44 H new ATOM 915 N GLU A 66 -3.392 -1.314 -13.937 1.00 42.00 N ATOM 916 CA GLU A 66 -3.314 -0.068 -14.708 1.00 3.45 C ATOM 917 C GLU A 66 -4.199 1.010 -14.073 1.00 32.32 C ATOM 918 O GLU A 66 -3.961 2.205 -14.241 1.00 24.32 O ATOM 919 CB GLU A 66 -3.761 -0.296 -16.166 1.00 34.52 C ATOM 920 CG GLU A 66 -3.330 0.849 -17.114 1.00 1.45 C ATOM 921 CD GLU A 66 -4.377 1.155 -18.190 1.00 64.23 C ATOM 922 OE1 GLU A 66 -4.719 0.249 -18.978 1.00 14.22 O ATOM 923 OE2 GLU A 66 -4.905 2.298 -18.235 1.00 13.12 O ATOM 0 HA GLU A 66 -2.276 0.263 -14.701 1.00 3.45 H new ATOM 0 HB2 GLU A 66 -3.343 -1.236 -16.526 1.00 34.52 H new ATOM 0 HB3 GLU A 66 -4.846 -0.397 -16.197 1.00 34.52 H new ATOM 0 HG2 GLU A 66 -3.144 1.749 -16.528 1.00 1.45 H new ATOM 0 HG3 GLU A 66 -2.389 0.582 -17.595 1.00 1.45 H new ATOM 928 N ASP A 67 -5.244 0.606 -13.351 1.00 71.52 N ATOM 929 CA ASP A 67 -6.400 1.480 -13.143 1.00 21.13 C ATOM 930 C ASP A 67 -6.006 2.637 -12.239 1.00 52.21 C ATOM 931 O ASP A 67 -6.168 3.817 -12.537 1.00 30.23 O ATOM 932 CB ASP A 67 -7.570 0.683 -12.541 1.00 52.40 C ATOM 933 CG ASP A 67 -8.864 0.948 -13.298 1.00 53.32 C ATOM 934 OD1 ASP A 67 -9.076 2.098 -13.735 1.00 4.02 O ATOM 935 OD2 ASP A 67 -9.602 -0.039 -13.518 1.00 42.44 O ATOM 0 H ASP A 67 -5.315 -0.309 -12.905 1.00 71.52 H new ATOM 0 HA ASP A 67 -6.727 1.882 -14.102 1.00 21.13 H new ATOM 0 HB2 ASP A 67 -7.341 -0.382 -12.569 1.00 52.40 H new ATOM 0 HB3 ASP A 67 -7.697 0.954 -11.493 1.00 52.40 H new ATOM 939 N VAL A 68 -5.351 2.241 -11.160 1.00 41.42 N ATOM 940 CA VAL A 68 -4.810 3.058 -10.102 1.00 13.22 C ATOM 941 C VAL A 68 -3.691 3.966 -10.626 1.00 10.23 C ATOM 942 O VAL A 68 -3.569 5.105 -10.174 1.00 21.31 O ATOM 943 CB VAL A 68 -4.353 2.066 -9.028 1.00 22.13 C ATOM 944 CG1 VAL A 68 -3.672 2.753 -7.845 1.00 52.41 C ATOM 945 CG2 VAL A 68 -5.563 1.314 -8.474 1.00 44.11 C ATOM 0 H VAL A 68 -5.172 1.251 -10.994 1.00 41.42 H new ATOM 0 HA VAL A 68 -5.539 3.752 -9.684 1.00 13.22 H new ATOM 0 HB VAL A 68 -3.640 1.397 -9.510 1.00 22.13 H new ATOM 0 HG11 VAL A 68 -3.369 2.003 -7.114 1.00 52.41 H new ATOM 0 HG12 VAL A 68 -2.793 3.295 -8.195 1.00 52.41 H new ATOM 0 HG13 VAL A 68 -4.368 3.452 -7.380 1.00 52.41 H new ATOM 0 HG21 VAL A 68 -5.235 0.609 -7.710 1.00 44.11 H new ATOM 0 HG22 VAL A 68 -6.263 2.025 -8.035 1.00 44.11 H new ATOM 0 HG23 VAL A 68 -6.055 0.771 -9.281 1.00 44.11 H new ATOM 955 N PHE A 69 -2.902 3.512 -11.607 1.00 72.54 N ATOM 956 CA PHE A 69 -1.950 4.381 -12.291 1.00 50.30 C ATOM 957 C PHE A 69 -2.717 5.512 -12.972 1.00 30.35 C ATOM 958 O PHE A 69 -2.362 6.673 -12.802 1.00 11.14 O ATOM 959 CB PHE A 69 -1.087 3.577 -13.277 1.00 51.14 C ATOM 960 CG PHE A 69 -0.385 4.408 -14.334 1.00 23.15 C ATOM 961 CD1 PHE A 69 -1.064 4.791 -15.510 1.00 73.23 C ATOM 962 CD2 PHE A 69 0.955 4.792 -14.152 1.00 11.12 C ATOM 963 CE1 PHE A 69 -0.425 5.599 -16.465 1.00 53.12 C ATOM 964 CE2 PHE A 69 1.596 5.590 -15.113 1.00 0.33 C ATOM 965 CZ PHE A 69 0.902 6.005 -16.263 1.00 62.51 C ATOM 0 H PHE A 69 -2.907 2.548 -11.941 1.00 72.54 H new ATOM 0 HA PHE A 69 -1.260 4.821 -11.571 1.00 50.30 H new ATOM 0 HB2 PHE A 69 -0.336 3.023 -12.713 1.00 51.14 H new ATOM 0 HB3 PHE A 69 -1.719 2.841 -13.774 1.00 51.14 H new ATOM 0 HD1 PHE A 69 -2.079 4.462 -15.677 1.00 73.23 H new ATOM 0 HD2 PHE A 69 1.492 4.473 -13.271 1.00 11.12 H new ATOM 0 HE1 PHE A 69 -0.955 5.907 -17.354 1.00 53.12 H new ATOM 0 HE2 PHE A 69 2.625 5.886 -14.968 1.00 0.33 H new ATOM 0 HZ PHE A 69 1.391 6.636 -16.991 1.00 62.51 H new ATOM 974 N ARG A 70 -3.774 5.190 -13.722 1.00 1.15 N ATOM 975 CA ARG A 70 -4.550 6.188 -14.452 1.00 33.51 C ATOM 976 C ARG A 70 -5.269 7.146 -13.499 1.00 5.14 C ATOM 977 O ARG A 70 -5.456 8.314 -13.832 1.00 42.24 O ATOM 978 CB ARG A 70 -5.526 5.458 -15.389 1.00 10.03 C ATOM 979 CG ARG A 70 -5.779 6.261 -16.666 1.00 63.33 C ATOM 980 CD ARG A 70 -6.501 5.416 -17.724 1.00 61.31 C ATOM 981 NE ARG A 70 -6.331 6.001 -19.060 1.00 4.34 N ATOM 982 CZ ARG A 70 -5.518 5.601 -20.046 1.00 65.11 C ATOM 983 NH1 ARG A 70 -4.764 4.504 -19.955 1.00 3.43 N ATOM 984 NH2 ARG A 70 -5.454 6.344 -21.141 1.00 72.11 N ATOM 0 H ARG A 70 -4.112 4.235 -13.838 1.00 1.15 H new ATOM 0 HA ARG A 70 -3.882 6.809 -15.050 1.00 33.51 H new ATOM 0 HB2 ARG A 70 -5.122 4.479 -15.647 1.00 10.03 H new ATOM 0 HB3 ARG A 70 -6.470 5.287 -14.872 1.00 10.03 H new ATOM 0 HG2 ARG A 70 -6.377 7.142 -16.431 1.00 63.33 H new ATOM 0 HG3 ARG A 70 -4.830 6.617 -17.068 1.00 63.33 H new ATOM 0 HD2 ARG A 70 -6.109 4.399 -17.714 1.00 61.31 H new ATOM 0 HD3 ARG A 70 -7.562 5.351 -17.482 1.00 61.31 H new ATOM 0 HE ARG A 70 -6.907 6.818 -19.263 1.00 4.34 H new ATOM 0 HH11 ARG A 70 -4.793 3.934 -19.110 1.00 3.43 H new ATOM 0 HH12 ARG A 70 -4.158 4.236 -20.731 1.00 3.43 H new ATOM 0 HH21 ARG A 70 -6.014 7.193 -21.215 1.00 72.11 H new ATOM 0 HH22 ARG A 70 -4.844 6.067 -21.910 1.00 72.11 H new ATOM 995 N LYS A 71 -5.631 6.681 -12.301 1.00 5.25 N ATOM 996 CA LYS A 71 -6.128 7.500 -11.199 1.00 52.30 C ATOM 997 C LYS A 71 -5.062 8.519 -10.822 1.00 32.25 C ATOM 998 O LYS A 71 -5.279 9.717 -10.947 1.00 74.53 O ATOM 999 CB LYS A 71 -6.496 6.615 -9.987 1.00 3.42 C ATOM 1000 CG LYS A 71 -7.942 6.768 -9.509 1.00 70.41 C ATOM 1001 CD LYS A 71 -8.899 5.904 -10.336 1.00 12.01 C ATOM 1002 CE LYS A 71 -10.276 5.937 -9.670 1.00 23.34 C ATOM 1003 NZ LYS A 71 -11.199 4.962 -10.279 1.00 41.21 N ATOM 0 H LYS A 71 -5.584 5.690 -12.066 1.00 5.25 H new ATOM 0 HA LYS A 71 -7.032 8.023 -11.511 1.00 52.30 H new ATOM 0 HB2 LYS A 71 -6.321 5.571 -10.248 1.00 3.42 H new ATOM 0 HB3 LYS A 71 -5.826 6.854 -9.161 1.00 3.42 H new ATOM 0 HG2 LYS A 71 -8.011 6.486 -8.458 1.00 70.41 H new ATOM 0 HG3 LYS A 71 -8.241 7.814 -9.579 1.00 70.41 H new ATOM 0 HD2 LYS A 71 -8.962 6.279 -11.357 1.00 12.01 H new ATOM 0 HD3 LYS A 71 -8.531 4.880 -10.395 1.00 12.01 H new ATOM 0 HE2 LYS A 71 -10.171 5.724 -8.606 1.00 23.34 H new ATOM 0 HE3 LYS A 71 -10.697 6.939 -9.754 1.00 23.34 H new ATOM 0 HZ1 LYS A 71 -12.122 5.013 -9.802 1.00 41.21 H new ATOM 0 HZ2 LYS A 71 -11.318 5.181 -11.289 1.00 41.21 H new ATOM 0 HZ3 LYS A 71 -10.809 4.003 -10.176 1.00 41.21 H new ATOM 1013 N LEU A 72 -3.903 8.045 -10.358 1.00 63.21 N ATOM 1014 CA LEU A 72 -2.869 8.902 -9.786 1.00 63.42 C ATOM 1015 C LEU A 72 -2.247 9.812 -10.852 1.00 74.50 C ATOM 1016 O LEU A 72 -1.804 10.909 -10.521 1.00 63.31 O ATOM 1017 CB LEU A 72 -1.788 8.037 -9.117 1.00 33.43 C ATOM 1018 CG LEU A 72 -1.987 7.671 -7.632 1.00 14.11 C ATOM 1019 CD1 LEU A 72 -1.488 8.785 -6.710 1.00 64.34 C ATOM 1020 CD2 LEU A 72 -3.422 7.258 -7.278 1.00 23.54 C ATOM 0 H LEU A 72 -3.658 7.055 -10.370 1.00 63.21 H new ATOM 0 HA LEU A 72 -3.330 9.543 -9.035 1.00 63.42 H new ATOM 0 HB2 LEU A 72 -1.701 7.110 -9.683 1.00 33.43 H new ATOM 0 HB3 LEU A 72 -0.835 8.558 -9.210 1.00 33.43 H new ATOM 0 HG LEU A 72 -1.376 6.784 -7.467 1.00 14.11 H new ATOM 0 HD11 LEU A 72 -1.643 8.494 -5.671 1.00 64.34 H new ATOM 0 HD12 LEU A 72 -0.425 8.953 -6.885 1.00 64.34 H new ATOM 0 HD13 LEU A 72 -2.039 9.702 -6.916 1.00 64.34 H new ATOM 0 HD21 LEU A 72 -3.480 7.016 -6.217 1.00 23.54 H new ATOM 0 HD22 LEU A 72 -4.103 8.080 -7.500 1.00 23.54 H new ATOM 0 HD23 LEU A 72 -3.704 6.384 -7.865 1.00 23.54 H new ATOM 1031 N ALA A 73 -2.211 9.396 -12.121 1.00 34.11 N ATOM 1032 CA ALA A 73 -1.811 10.248 -13.234 1.00 71.51 C ATOM 1033 C ALA A 73 -2.741 11.453 -13.347 1.00 61.32 C ATOM 1034 O ALA A 73 -2.261 12.567 -13.555 1.00 73.22 O ATOM 1035 CB ALA A 73 -1.802 9.439 -14.538 1.00 44.40 C ATOM 0 H ALA A 73 -2.462 8.448 -12.403 1.00 34.11 H new ATOM 0 HA ALA A 73 -0.802 10.618 -13.050 1.00 71.51 H new ATOM 0 HB1 ALA A 73 -1.502 10.084 -15.364 1.00 44.40 H new ATOM 0 HB2 ALA A 73 -1.097 8.612 -14.448 1.00 44.40 H new ATOM 0 HB3 ALA A 73 -2.800 9.046 -14.729 1.00 44.40 H new ATOM 1041 N ALA A 74 -4.045 11.241 -13.155 1.00 21.51 N ATOM 1042 CA ALA A 74 -5.046 12.300 -13.139 1.00 34.11 C ATOM 1043 C ALA A 74 -5.067 13.081 -11.814 1.00 42.21 C ATOM 1044 O ALA A 74 -6.057 13.760 -11.522 1.00 25.13 O ATOM 1045 CB ALA A 74 -6.401 11.664 -13.439 1.00 44.22 C ATOM 0 H ALA A 74 -4.437 10.312 -13.004 1.00 21.51 H new ATOM 0 HA ALA A 74 -4.797 13.040 -13.900 1.00 34.11 H new ATOM 0 HB1 ALA A 74 -7.173 12.433 -13.434 1.00 44.22 H new ATOM 0 HB2 ALA A 74 -6.370 11.187 -14.419 1.00 44.22 H new ATOM 0 HB3 ALA A 74 -6.629 10.917 -12.679 1.00 44.22 H new ATOM 1051 N ASP A 75 -4.001 12.990 -11.014 1.00 74.30 N ATOM 1052 CA ASP A 75 -3.755 13.823 -9.841 1.00 71.22 C ATOM 1053 C ASP A 75 -2.413 14.526 -10.033 1.00 12.01 C ATOM 1054 O ASP A 75 -2.353 15.754 -10.075 1.00 45.00 O ATOM 1055 CB ASP A 75 -3.788 13.000 -8.533 1.00 61.44 C ATOM 1056 CG ASP A 75 -5.065 13.201 -7.717 1.00 45.01 C ATOM 1057 OD1 ASP A 75 -5.544 14.353 -7.600 1.00 52.24 O ATOM 1058 OD2 ASP A 75 -5.598 12.210 -7.164 1.00 12.34 O ATOM 0 H ASP A 75 -3.260 12.308 -11.174 1.00 74.30 H new ATOM 0 HA ASP A 75 -4.549 14.564 -9.745 1.00 71.22 H new ATOM 0 HB2 ASP A 75 -3.684 11.942 -8.776 1.00 61.44 H new ATOM 0 HB3 ASP A 75 -2.928 13.272 -7.920 1.00 61.44 H new ATOM 1062 N LEU A 76 -1.322 13.766 -10.178 1.00 5.34 N ATOM 1063 CA LEU A 76 0.025 14.294 -10.351 1.00 21.51 C ATOM 1064 C LEU A 76 0.317 14.768 -11.777 1.00 3.33 C ATOM 1065 O LEU A 76 1.488 14.830 -12.155 1.00 1.04 O ATOM 1066 CB LEU A 76 1.069 13.243 -9.939 1.00 62.42 C ATOM 1067 CG LEU A 76 1.098 12.802 -8.473 1.00 62.13 C ATOM 1068 CD1 LEU A 76 0.637 13.873 -7.480 1.00 31.51 C ATOM 1069 CD2 LEU A 76 0.361 11.486 -8.256 1.00 24.35 C ATOM 0 H LEU A 76 -1.357 12.747 -10.178 1.00 5.34 H new ATOM 0 HA LEU A 76 0.090 15.169 -9.704 1.00 21.51 H new ATOM 0 HB2 LEU A 76 0.911 12.356 -10.553 1.00 62.42 H new ATOM 0 HB3 LEU A 76 2.055 13.634 -10.191 1.00 62.42 H new ATOM 0 HG LEU A 76 2.153 12.640 -8.254 1.00 62.13 H new ATOM 0 HD11 LEU A 76 0.689 13.476 -6.466 1.00 31.51 H new ATOM 0 HD12 LEU A 76 1.283 14.747 -7.561 1.00 31.51 H new ATOM 0 HD13 LEU A 76 -0.390 14.160 -7.705 1.00 31.51 H new ATOM 0 HD21 LEU A 76 0.408 11.212 -7.202 1.00 24.35 H new ATOM 0 HD22 LEU A 76 -0.681 11.599 -8.556 1.00 24.35 H new ATOM 0 HD23 LEU A 76 0.828 10.704 -8.855 1.00 24.35 H new ATOM 1080 N GLU A 77 -0.691 15.125 -12.571 1.00 32.33 N ATOM 1081 CA GLU A 77 -0.437 15.861 -13.796 1.00 10.01 C ATOM 1082 C GLU A 77 0.356 17.118 -13.408 1.00 11.32 C ATOM 1083 O GLU A 77 -0.086 17.912 -12.570 1.00 44.23 O ATOM 1084 CB GLU A 77 -1.737 16.195 -14.538 1.00 65.24 C ATOM 1085 CG GLU A 77 -1.393 16.781 -15.927 1.00 73.32 C ATOM 1086 CD GLU A 77 -2.444 17.713 -16.535 1.00 43.40 C ATOM 1087 OE1 GLU A 77 -3.274 18.299 -15.801 1.00 63.20 O ATOM 1088 OE2 GLU A 77 -2.358 17.963 -17.766 1.00 54.24 O ATOM 0 H GLU A 77 -1.673 14.918 -12.388 1.00 32.33 H new ATOM 0 HA GLU A 77 0.141 15.257 -14.495 1.00 10.01 H new ATOM 0 HB2 GLU A 77 -2.347 15.299 -14.649 1.00 65.24 H new ATOM 0 HB3 GLU A 77 -2.324 16.911 -13.963 1.00 65.24 H new ATOM 0 HG2 GLU A 77 -0.453 17.327 -15.848 1.00 73.32 H new ATOM 0 HG3 GLU A 77 -1.224 15.955 -16.618 1.00 73.32 H new ATOM 1093 N GLY A 78 1.565 17.227 -13.959 1.00 71.21 N ATOM 1094 CA GLY A 78 2.491 18.314 -13.699 1.00 1.04 C ATOM 1095 C GLY A 78 3.245 18.208 -12.378 1.00 4.13 C ATOM 1096 O GLY A 78 3.972 19.143 -12.029 1.00 62.32 O ATOM 0 H GLY A 78 1.932 16.539 -14.616 1.00 71.21 H new ATOM 0 HA2 GLY A 78 3.215 18.358 -14.512 1.00 1.04 H new ATOM 0 HA3 GLY A 78 1.939 19.254 -13.712 1.00 1.04 H new ATOM 1100 N LYS A 79 3.100 17.104 -11.634 1.00 62.31 N ATOM 1101 CA LYS A 79 3.863 16.849 -10.415 1.00 62.51 C ATOM 1102 C LYS A 79 4.773 15.638 -10.571 1.00 22.21 C ATOM 1103 O LYS A 79 5.901 15.703 -10.079 1.00 75.32 O ATOM 1104 CB LYS A 79 2.966 16.665 -9.184 1.00 60.52 C ATOM 1105 CG LYS A 79 1.841 17.680 -8.940 1.00 33.52 C ATOM 1106 CD LYS A 79 2.312 19.137 -8.995 1.00 53.40 C ATOM 1107 CE LYS A 79 1.369 20.044 -8.199 1.00 65.44 C ATOM 1108 NZ LYS A 79 1.539 21.473 -8.540 1.00 75.52 N ATOM 0 H LYS A 79 2.443 16.359 -11.867 1.00 62.31 H new ATOM 0 HA LYS A 79 4.474 17.737 -10.253 1.00 62.51 H new ATOM 0 HB2 LYS A 79 2.512 15.676 -9.249 1.00 60.52 H new ATOM 0 HB3 LYS A 79 3.608 16.663 -8.303 1.00 60.52 H new ATOM 0 HG2 LYS A 79 1.059 17.530 -9.685 1.00 33.52 H new ATOM 0 HG3 LYS A 79 1.393 17.487 -7.965 1.00 33.52 H new ATOM 0 HD2 LYS A 79 3.322 19.213 -8.593 1.00 53.40 H new ATOM 0 HD3 LYS A 79 2.356 19.471 -10.032 1.00 53.40 H new ATOM 0 HE2 LYS A 79 0.338 19.748 -8.390 1.00 65.44 H new ATOM 0 HE3 LYS A 79 1.549 19.904 -7.133 1.00 65.44 H new ATOM 0 HZ1 LYS A 79 0.879 22.045 -7.975 1.00 75.52 H new ATOM 0 HZ2 LYS A 79 2.515 21.765 -8.333 1.00 75.52 H new ATOM 0 HZ3 LYS A 79 1.342 21.614 -9.551 1.00 75.52 H new ATOM 1118 N ALA A 80 4.309 14.541 -11.179 1.00 44.32 N ATOM 1119 CA ALA A 80 5.068 13.308 -11.326 1.00 54.00 C ATOM 1120 C ALA A 80 4.571 12.601 -12.584 1.00 0.02 C ATOM 1121 O ALA A 80 3.375 12.352 -12.702 1.00 44.13 O ATOM 1122 CB ALA A 80 4.865 12.424 -10.086 1.00 75.13 C ATOM 0 H ALA A 80 3.376 14.491 -11.589 1.00 44.32 H new ATOM 0 HA ALA A 80 6.134 13.516 -11.417 1.00 54.00 H new ATOM 0 HB1 ALA A 80 5.435 11.502 -10.199 1.00 75.13 H new ATOM 0 HB2 ALA A 80 5.209 12.956 -9.199 1.00 75.13 H new ATOM 0 HB3 ALA A 80 3.807 12.186 -9.978 1.00 75.13 H new ATOM 1128 N ASP A 81 5.470 12.298 -13.517 1.00 43.20 N ATOM 1129 CA ASP A 81 5.144 11.635 -14.783 1.00 35.41 C ATOM 1130 C ASP A 81 5.081 10.108 -14.622 1.00 34.52 C ATOM 1131 O ASP A 81 5.246 9.564 -13.528 1.00 74.30 O ATOM 1132 CB ASP A 81 6.175 11.970 -15.872 1.00 63.40 C ATOM 1133 CG ASP A 81 6.283 13.442 -16.221 1.00 13.43 C ATOM 1134 OD1 ASP A 81 5.262 14.049 -16.625 1.00 63.43 O ATOM 1135 OD2 ASP A 81 7.426 13.955 -16.160 1.00 41.12 O ATOM 0 H ASP A 81 6.463 12.509 -13.416 1.00 43.20 H new ATOM 0 HA ASP A 81 4.164 12.007 -15.082 1.00 35.41 H new ATOM 0 HB2 ASP A 81 7.153 11.617 -15.546 1.00 63.40 H new ATOM 0 HB3 ASP A 81 5.920 11.416 -16.775 1.00 63.40 H new ATOM 1139 N GLU A 82 4.879 9.403 -15.740 1.00 23.44 N ATOM 1140 CA GLU A 82 4.840 7.952 -15.879 1.00 24.41 C ATOM 1141 C GLU A 82 6.044 7.311 -15.188 1.00 20.12 C ATOM 1142 O GLU A 82 5.868 6.427 -14.351 1.00 33.42 O ATOM 1143 CB GLU A 82 4.757 7.618 -17.384 1.00 20.23 C ATOM 1144 CG GLU A 82 4.320 6.187 -17.722 1.00 20.54 C ATOM 1145 CD GLU A 82 5.396 5.096 -17.661 1.00 35.52 C ATOM 1146 OE1 GLU A 82 6.512 5.258 -18.205 1.00 44.30 O ATOM 1147 OE2 GLU A 82 5.056 3.997 -17.164 1.00 14.33 O ATOM 0 H GLU A 82 4.728 9.870 -16.634 1.00 23.44 H new ATOM 0 HA GLU A 82 3.962 7.537 -15.385 1.00 24.41 H new ATOM 0 HB2 GLU A 82 4.060 8.312 -17.854 1.00 20.23 H new ATOM 0 HB3 GLU A 82 5.735 7.796 -17.832 1.00 20.23 H new ATOM 0 HG2 GLU A 82 3.517 5.908 -17.040 1.00 20.54 H new ATOM 0 HG3 GLU A 82 3.898 6.190 -18.727 1.00 20.54 H new ATOM 1152 N GLU A 83 7.241 7.839 -15.468 1.00 43.22 N ATOM 1153 CA GLU A 83 8.549 7.422 -14.951 1.00 41.44 C ATOM 1154 C GLU A 83 8.642 7.463 -13.418 1.00 64.14 C ATOM 1155 O GLU A 83 9.593 6.947 -12.835 1.00 60.30 O ATOM 1156 CB GLU A 83 9.592 8.363 -15.577 1.00 31.52 C ATOM 1157 CG GLU A 83 11.056 7.928 -15.431 1.00 60.31 C ATOM 1158 CD GLU A 83 11.982 8.846 -16.233 1.00 51.22 C ATOM 1159 OE1 GLU A 83 11.769 9.007 -17.457 1.00 20.33 O ATOM 1160 OE2 GLU A 83 12.923 9.440 -15.660 1.00 34.32 O ATOM 0 H GLU A 83 7.327 8.627 -16.109 1.00 43.22 H new ATOM 0 HA GLU A 83 8.722 6.380 -15.220 1.00 41.44 H new ATOM 0 HB2 GLU A 83 9.368 8.468 -16.639 1.00 31.52 H new ATOM 0 HB3 GLU A 83 9.479 9.350 -15.128 1.00 31.52 H new ATOM 0 HG2 GLU A 83 11.342 7.946 -14.379 1.00 60.31 H new ATOM 0 HG3 GLU A 83 11.170 6.900 -15.775 1.00 60.31 H new ATOM 1165 N THR A 84 7.668 8.071 -12.749 1.00 52.41 N ATOM 1166 CA THR A 84 7.657 8.299 -11.318 1.00 31.24 C ATOM 1167 C THR A 84 6.438 7.602 -10.700 1.00 15.11 C ATOM 1168 O THR A 84 6.575 6.843 -9.742 1.00 60.13 O ATOM 1169 CB THR A 84 7.665 9.817 -11.089 1.00 2.15 C ATOM 1170 OG1 THR A 84 8.594 10.500 -11.915 1.00 21.54 O ATOM 1171 CG2 THR A 84 7.984 10.129 -9.634 1.00 1.25 C ATOM 0 H THR A 84 6.834 8.431 -13.212 1.00 52.41 H new ATOM 0 HA THR A 84 8.534 7.876 -10.829 1.00 31.24 H new ATOM 0 HB THR A 84 6.667 10.168 -11.350 1.00 2.15 H new ATOM 0 HG1 THR A 84 8.554 11.461 -11.727 1.00 21.54 H new ATOM 0 HG21 THR A 84 7.986 11.209 -9.486 1.00 1.25 H new ATOM 0 HG22 THR A 84 7.229 9.676 -8.991 1.00 1.25 H new ATOM 0 HG23 THR A 84 8.965 9.726 -9.382 1.00 1.25 H new ATOM 1179 N ILE A 85 5.246 7.810 -11.259 1.00 0.25 N ATOM 1180 CA ILE A 85 4.005 7.146 -10.876 1.00 73.14 C ATOM 1181 C ILE A 85 4.162 5.629 -10.946 1.00 42.01 C ATOM 1182 O ILE A 85 3.958 4.963 -9.924 1.00 11.11 O ATOM 1183 CB ILE A 85 2.859 7.624 -11.790 1.00 34.13 C ATOM 1184 CG1 ILE A 85 2.635 9.145 -11.610 1.00 63.42 C ATOM 1185 CG2 ILE A 85 1.533 6.860 -11.535 1.00 52.20 C ATOM 1186 CD1 ILE A 85 1.748 9.755 -12.687 1.00 62.33 C ATOM 0 H ILE A 85 5.116 8.474 -12.023 1.00 0.25 H new ATOM 0 HA ILE A 85 3.764 7.407 -9.845 1.00 73.14 H new ATOM 0 HB ILE A 85 3.160 7.412 -12.816 1.00 34.13 H new ATOM 0 HG12 ILE A 85 2.186 9.326 -10.634 1.00 63.42 H new ATOM 0 HG13 ILE A 85 3.601 9.651 -11.615 1.00 63.42 H new ATOM 0 HG21 ILE A 85 0.761 7.237 -12.206 1.00 52.20 H new ATOM 0 HG22 ILE A 85 1.685 5.796 -11.718 1.00 52.20 H new ATOM 0 HG23 ILE A 85 1.220 7.009 -10.502 1.00 52.20 H new ATOM 0 HD11 ILE A 85 1.632 10.823 -12.501 1.00 62.33 H new ATOM 0 HD12 ILE A 85 2.207 9.605 -13.664 1.00 62.33 H new ATOM 0 HD13 ILE A 85 0.770 9.275 -12.668 1.00 62.33 H new ATOM 1197 N ARG A 86 4.455 5.075 -12.135 1.00 15.45 N ATOM 1198 CA ARG A 86 4.600 3.627 -12.286 1.00 74.43 C ATOM 1199 C ARG A 86 5.741 3.167 -11.395 1.00 31.32 C ATOM 1200 O ARG A 86 5.623 2.092 -10.809 1.00 61.54 O ATOM 1201 CB ARG A 86 4.854 3.227 -13.762 1.00 75.24 C ATOM 1202 CG ARG A 86 3.713 2.423 -14.411 1.00 2.44 C ATOM 1203 CD ARG A 86 3.891 0.893 -14.365 1.00 62.31 C ATOM 1204 NE ARG A 86 4.614 0.361 -15.539 1.00 51.22 N ATOM 1205 CZ ARG A 86 4.515 -0.874 -16.062 1.00 14.34 C ATOM 1206 NH1 ARG A 86 3.964 -1.883 -15.390 1.00 22.42 N ATOM 1207 NH2 ARG A 86 4.994 -1.101 -17.282 1.00 2.03 N ATOM 0 H ARG A 86 4.594 5.606 -12.994 1.00 15.45 H new ATOM 0 HA ARG A 86 3.672 3.139 -11.988 1.00 74.43 H new ATOM 0 HB2 ARG A 86 5.022 4.132 -14.347 1.00 75.24 H new ATOM 0 HB3 ARG A 86 5.771 2.639 -13.813 1.00 75.24 H new ATOM 0 HG2 ARG A 86 2.778 2.681 -13.914 1.00 2.44 H new ATOM 0 HG3 ARG A 86 3.616 2.732 -15.452 1.00 2.44 H new ATOM 0 HD2 ARG A 86 4.432 0.623 -13.458 1.00 62.31 H new ATOM 0 HD3 ARG A 86 2.911 0.420 -14.304 1.00 62.31 H new ATOM 0 HE ARG A 86 5.259 1.001 -16.003 1.00 51.22 H new ATOM 0 HH11 ARG A 86 3.601 -1.731 -14.449 1.00 22.42 H new ATOM 0 HH12 ARG A 86 3.905 -2.808 -15.816 1.00 22.42 H new ATOM 0 HH21 ARG A 86 5.429 -0.343 -17.808 1.00 2.03 H new ATOM 0 HH22 ARG A 86 4.926 -2.033 -17.691 1.00 2.03 H new ATOM 1218 N ALA A 87 6.780 3.994 -11.243 1.00 3.23 N ATOM 1219 CA ALA A 87 7.960 3.642 -10.468 1.00 62.33 C ATOM 1220 C ALA A 87 7.582 3.414 -9.012 1.00 32.14 C ATOM 1221 O ALA A 87 7.748 2.313 -8.512 1.00 63.13 O ATOM 1222 CB ALA A 87 9.065 4.687 -10.605 1.00 31.13 C ATOM 0 H ALA A 87 6.821 4.926 -11.657 1.00 3.23 H new ATOM 0 HA ALA A 87 8.362 2.712 -10.869 1.00 62.33 H new ATOM 0 HB1 ALA A 87 9.927 4.385 -10.011 1.00 31.13 H new ATOM 0 HB2 ALA A 87 9.358 4.772 -11.652 1.00 31.13 H new ATOM 0 HB3 ALA A 87 8.700 5.651 -10.251 1.00 31.13 H new ATOM 1228 N LYS A 88 7.018 4.406 -8.327 1.00 2.13 N ATOM 1229 CA LYS A 88 6.635 4.297 -6.914 1.00 44.41 C ATOM 1230 C LYS A 88 5.663 3.151 -6.703 1.00 42.20 C ATOM 1231 O LYS A 88 5.706 2.468 -5.681 1.00 14.43 O ATOM 1232 CB LYS A 88 6.001 5.602 -6.418 1.00 61.10 C ATOM 1233 CG LYS A 88 7.009 6.770 -6.437 1.00 41.01 C ATOM 1234 CD LYS A 88 7.565 7.052 -5.038 1.00 44.34 C ATOM 1235 CE LYS A 88 8.655 8.130 -5.067 1.00 21.31 C ATOM 1236 NZ LYS A 88 8.958 8.610 -3.703 1.00 31.32 N ATOM 0 H LYS A 88 6.811 5.317 -8.737 1.00 2.13 H new ATOM 0 HA LYS A 88 7.542 4.102 -6.342 1.00 44.41 H new ATOM 0 HB2 LYS A 88 5.144 5.851 -7.044 1.00 61.10 H new ATOM 0 HB3 LYS A 88 5.626 5.462 -5.404 1.00 61.10 H new ATOM 0 HG2 LYS A 88 7.829 6.534 -7.115 1.00 41.01 H new ATOM 0 HG3 LYS A 88 6.523 7.666 -6.824 1.00 41.01 H new ATOM 0 HD2 LYS A 88 6.755 7.371 -4.382 1.00 44.34 H new ATOM 0 HD3 LYS A 88 7.973 6.133 -4.617 1.00 44.34 H new ATOM 0 HE2 LYS A 88 9.559 7.727 -5.524 1.00 21.31 H new ATOM 0 HE3 LYS A 88 8.330 8.965 -5.687 1.00 21.31 H new ATOM 0 HZ1 LYS A 88 9.870 9.109 -3.705 1.00 31.32 H new ATOM 0 HZ2 LYS A 88 8.209 9.259 -3.389 1.00 31.32 H new ATOM 0 HZ3 LYS A 88 9.009 7.800 -3.053 1.00 31.32 H new ATOM 1246 N MET A 89 4.765 2.935 -7.662 1.00 72.13 N ATOM 1247 CA MET A 89 3.796 1.861 -7.570 1.00 31.52 C ATOM 1248 C MET A 89 4.459 0.466 -7.678 1.00 23.55 C ATOM 1249 O MET A 89 3.888 -0.501 -7.164 1.00 63.33 O ATOM 1250 CB MET A 89 2.647 2.157 -8.552 1.00 4.31 C ATOM 1251 CG MET A 89 1.503 1.153 -8.360 1.00 44.00 C ATOM 1252 SD MET A 89 -0.058 1.570 -9.185 1.00 70.51 S ATOM 1253 CE MET A 89 -1.112 0.319 -8.413 1.00 52.11 C ATOM 0 H MET A 89 4.694 3.495 -8.512 1.00 72.13 H new ATOM 0 HA MET A 89 3.345 1.820 -6.579 1.00 31.52 H new ATOM 0 HB2 MET A 89 2.279 3.171 -8.395 1.00 4.31 H new ATOM 0 HB3 MET A 89 3.015 2.106 -9.577 1.00 4.31 H new ATOM 0 HG2 MET A 89 1.834 0.179 -8.721 1.00 44.00 H new ATOM 0 HG3 MET A 89 1.311 1.049 -7.292 1.00 44.00 H new ATOM 0 HE1 MET A 89 -1.842 -0.039 -9.138 1.00 52.11 H new ATOM 0 HE2 MET A 89 -0.498 -0.515 -8.074 1.00 52.11 H new ATOM 0 HE3 MET A 89 -1.632 0.757 -7.561 1.00 52.11 H new ATOM 1261 N VAL A 90 5.676 0.349 -8.231 1.00 0.42 N ATOM 1262 CA VAL A 90 6.566 -0.808 -8.064 1.00 40.14 C ATOM 1263 C VAL A 90 7.306 -0.711 -6.720 1.00 72.44 C ATOM 1264 O VAL A 90 7.277 -1.664 -5.942 1.00 12.05 O ATOM 1265 CB VAL A 90 7.581 -0.897 -9.228 1.00 44.32 C ATOM 1266 CG1 VAL A 90 8.592 -2.035 -9.001 1.00 32.22 C ATOM 1267 CG2 VAL A 90 6.900 -1.154 -10.574 1.00 42.21 C ATOM 0 H VAL A 90 6.078 1.076 -8.822 1.00 0.42 H new ATOM 0 HA VAL A 90 5.959 -1.713 -8.073 1.00 40.14 H new ATOM 0 HB VAL A 90 8.086 0.069 -9.251 1.00 44.32 H new ATOM 0 HG11 VAL A 90 9.292 -2.072 -9.836 1.00 32.22 H new ATOM 0 HG12 VAL A 90 9.140 -1.856 -8.076 1.00 32.22 H new ATOM 0 HG13 VAL A 90 8.061 -2.984 -8.930 1.00 32.22 H new ATOM 0 HG21 VAL A 90 7.654 -1.208 -11.359 1.00 42.21 H new ATOM 0 HG22 VAL A 90 6.353 -2.096 -10.531 1.00 42.21 H new ATOM 0 HG23 VAL A 90 6.207 -0.341 -10.792 1.00 42.21 H new ATOM 1277 N GLU A 91 7.940 0.434 -6.441 1.00 53.03 N ATOM 1278 CA GLU A 91 8.884 0.725 -5.351 1.00 74.44 C ATOM 1279 C GLU A 91 8.250 0.658 -3.952 1.00 61.41 C ATOM 1280 O GLU A 91 8.839 1.086 -2.962 1.00 2.42 O ATOM 1281 CB GLU A 91 9.493 2.124 -5.596 1.00 24.52 C ATOM 1282 CG GLU A 91 10.925 2.309 -5.077 1.00 22.23 C ATOM 1283 CD GLU A 91 11.980 1.449 -5.797 1.00 23.14 C ATOM 1284 OE1 GLU A 91 11.714 0.924 -6.903 1.00 43.13 O ATOM 1285 OE2 GLU A 91 13.085 1.274 -5.252 1.00 13.44 O ATOM 0 H GLU A 91 7.793 1.257 -7.025 1.00 53.03 H new ATOM 0 HA GLU A 91 9.652 -0.048 -5.363 1.00 74.44 H new ATOM 0 HB2 GLU A 91 9.482 2.326 -6.667 1.00 24.52 H new ATOM 0 HB3 GLU A 91 8.853 2.870 -5.125 1.00 24.52 H new ATOM 0 HG2 GLU A 91 11.201 3.359 -5.176 1.00 22.23 H new ATOM 0 HG3 GLU A 91 10.946 2.073 -4.013 1.00 22.23 H new ATOM 1290 N LEU A 92 7.004 0.204 -3.867 1.00 40.10 N ATOM 1291 CA LEU A 92 6.199 0.049 -2.675 1.00 3.41 C ATOM 1292 C LEU A 92 5.508 -1.312 -2.670 1.00 34.52 C ATOM 1293 O LEU A 92 4.874 -1.669 -1.682 1.00 55.23 O ATOM 1294 CB LEU A 92 5.156 1.175 -2.657 1.00 31.53 C ATOM 1295 CG LEU A 92 5.784 2.572 -2.438 1.00 34.12 C ATOM 1296 CD1 LEU A 92 4.740 3.661 -2.651 1.00 22.14 C ATOM 1297 CD2 LEU A 92 6.379 2.726 -1.038 1.00 53.04 C ATOM 0 H LEU A 92 6.496 -0.087 -4.702 1.00 40.10 H new ATOM 0 HA LEU A 92 6.830 0.105 -1.788 1.00 3.41 H new ATOM 0 HB2 LEU A 92 4.609 1.172 -3.600 1.00 31.53 H new ATOM 0 HB3 LEU A 92 4.431 0.980 -1.867 1.00 31.53 H new ATOM 0 HG LEU A 92 6.589 2.672 -3.166 1.00 34.12 H new ATOM 0 HD11 LEU A 92 5.196 4.638 -2.494 1.00 22.14 H new ATOM 0 HD12 LEU A 92 4.354 3.601 -3.668 1.00 22.14 H new ATOM 0 HD13 LEU A 92 3.922 3.524 -1.944 1.00 22.14 H new ATOM 0 HD21 LEU A 92 6.808 3.723 -0.932 1.00 53.04 H new ATOM 0 HD22 LEU A 92 5.596 2.587 -0.293 1.00 53.04 H new ATOM 0 HD23 LEU A 92 7.158 1.978 -0.890 1.00 53.04 H new ATOM 1308 N ARG A 93 5.580 -2.076 -3.763 1.00 73.34 N ATOM 1309 CA ARG A 93 4.869 -3.338 -3.930 1.00 52.11 C ATOM 1310 C ARG A 93 5.590 -4.405 -3.112 1.00 62.31 C ATOM 1311 O ARG A 93 5.043 -4.895 -2.119 1.00 61.53 O ATOM 1312 CB ARG A 93 4.754 -3.679 -5.436 1.00 2.11 C ATOM 1313 CG ARG A 93 3.386 -4.234 -5.841 1.00 55.22 C ATOM 1314 CD ARG A 93 2.274 -3.171 -5.771 1.00 42.03 C ATOM 1315 NE ARG A 93 1.849 -2.760 -7.125 1.00 52.04 N ATOM 1316 CZ ARG A 93 0.682 -3.037 -7.734 1.00 41.11 C ATOM 1317 NH1 ARG A 93 -0.356 -3.566 -7.086 1.00 23.24 N ATOM 1318 NH2 ARG A 93 0.521 -2.758 -9.022 1.00 30.13 N ATOM 0 H ARG A 93 6.148 -1.825 -4.572 1.00 73.34 H new ATOM 0 HA ARG A 93 3.846 -3.276 -3.558 1.00 52.11 H new ATOM 0 HB2 ARG A 93 4.958 -2.781 -6.019 1.00 2.11 H new ATOM 0 HB3 ARG A 93 5.522 -4.408 -5.694 1.00 2.11 H new ATOM 0 HG2 ARG A 93 3.443 -4.629 -6.855 1.00 55.22 H new ATOM 0 HG3 ARG A 93 3.128 -5.068 -5.189 1.00 55.22 H new ATOM 0 HD2 ARG A 93 1.420 -3.569 -5.223 1.00 42.03 H new ATOM 0 HD3 ARG A 93 2.631 -2.302 -5.218 1.00 42.03 H new ATOM 0 HE ARG A 93 2.516 -2.203 -7.659 1.00 52.04 H new ATOM 0 HH11 ARG A 93 -0.283 -3.776 -6.091 1.00 23.24 H new ATOM 0 HH12 ARG A 93 -1.224 -3.761 -7.586 1.00 23.24 H new ATOM 0 HH21 ARG A 93 1.283 -2.333 -9.551 1.00 30.13 H new ATOM 0 HH22 ARG A 93 -0.364 -2.969 -9.483 1.00 30.13 H new ATOM 1329 N ALA A 94 6.841 -4.696 -3.482 1.00 42.12 N ATOM 1330 CA ALA A 94 7.723 -5.627 -2.787 1.00 75.44 C ATOM 1331 C ALA A 94 7.990 -5.172 -1.348 1.00 4.35 C ATOM 1332 O ALA A 94 7.960 -5.963 -0.412 1.00 42.15 O ATOM 1333 CB ALA A 94 9.020 -5.758 -3.595 1.00 75.11 C ATOM 0 H ALA A 94 7.278 -4.274 -4.301 1.00 42.12 H new ATOM 0 HA ALA A 94 7.246 -6.604 -2.713 1.00 75.44 H new ATOM 0 HB1 ALA A 94 9.694 -6.451 -3.091 1.00 75.11 H new ATOM 0 HB2 ALA A 94 8.791 -6.135 -4.592 1.00 75.11 H new ATOM 0 HB3 ALA A 94 9.498 -4.782 -3.677 1.00 75.11 H new ATOM 1339 N THR A 95 8.167 -3.869 -1.152 1.00 71.02 N ATOM 1340 CA THR A 95 8.410 -3.246 0.142 1.00 74.24 C ATOM 1341 C THR A 95 7.234 -3.517 1.070 1.00 15.42 C ATOM 1342 O THR A 95 7.401 -4.021 2.185 1.00 64.15 O ATOM 1343 CB THR A 95 8.544 -1.731 -0.039 1.00 42.51 C ATOM 1344 OG1 THR A 95 9.165 -1.413 -1.271 1.00 61.20 O ATOM 1345 CG2 THR A 95 9.283 -1.077 1.119 1.00 41.12 C ATOM 0 H THR A 95 8.144 -3.195 -1.918 1.00 71.02 H new ATOM 0 HA THR A 95 9.325 -3.658 0.568 1.00 74.24 H new ATOM 0 HB THR A 95 7.532 -1.326 -0.050 1.00 42.51 H new ATOM 0 HG1 THR A 95 8.882 -0.520 -1.559 1.00 61.20 H new ATOM 0 HG21 THR A 95 9.353 -0.003 0.946 1.00 41.12 H new ATOM 0 HG22 THR A 95 8.741 -1.260 2.047 1.00 41.12 H new ATOM 0 HG23 THR A 95 10.285 -1.498 1.195 1.00 41.12 H new ATOM 1353 N ALA A 96 6.017 -3.191 0.605 1.00 55.24 N ATOM 1354 CA ALA A 96 4.860 -3.326 1.458 1.00 12.20 C ATOM 1355 C ALA A 96 4.628 -4.792 1.841 1.00 60.44 C ATOM 1356 O ALA A 96 4.000 -5.060 2.858 1.00 0.10 O ATOM 1357 CB ALA A 96 3.607 -2.704 0.857 1.00 53.12 C ATOM 0 H ALA A 96 5.826 -2.842 -0.334 1.00 55.24 H new ATOM 0 HA ALA A 96 5.074 -2.764 2.367 1.00 12.20 H new ATOM 0 HB1 ALA A 96 2.770 -2.836 1.543 1.00 53.12 H new ATOM 0 HB2 ALA A 96 3.774 -1.640 0.689 1.00 53.12 H new ATOM 0 HB3 ALA A 96 3.379 -3.190 -0.092 1.00 53.12 H new ATOM 1363 N ARG A 97 5.106 -5.734 1.021 1.00 24.31 N ATOM 1364 CA ARG A 97 4.981 -7.165 1.250 1.00 60.01 C ATOM 1365 C ARG A 97 5.832 -7.632 2.433 1.00 20.24 C ATOM 1366 O ARG A 97 5.392 -8.552 3.123 1.00 63.43 O ATOM 1367 CB ARG A 97 5.250 -7.909 -0.079 1.00 40.11 C ATOM 1368 CG ARG A 97 3.997 -7.859 -0.972 1.00 23.21 C ATOM 1369 CD ARG A 97 4.208 -8.298 -2.427 1.00 74.15 C ATOM 1370 NE ARG A 97 2.943 -8.164 -3.172 1.00 75.52 N ATOM 1371 CZ ARG A 97 2.732 -8.168 -4.496 1.00 43.02 C ATOM 1372 NH1 ARG A 97 3.729 -8.297 -5.362 1.00 23.43 N ATOM 1373 NH2 ARG A 97 1.487 -8.006 -4.938 1.00 4.22 N ATOM 0 H ARG A 97 5.603 -5.509 0.159 1.00 24.31 H new ATOM 0 HA ARG A 97 3.964 -7.411 1.554 1.00 60.01 H new ATOM 0 HB2 ARG A 97 6.094 -7.453 -0.596 1.00 40.11 H new ATOM 0 HB3 ARG A 97 5.522 -8.945 0.123 1.00 40.11 H new ATOM 0 HG2 ARG A 97 3.229 -8.492 -0.527 1.00 23.21 H new ATOM 0 HG3 ARG A 97 3.611 -6.840 -0.970 1.00 23.21 H new ATOM 0 HD2 ARG A 97 4.982 -7.689 -2.893 1.00 74.15 H new ATOM 0 HD3 ARG A 97 4.553 -9.331 -2.459 1.00 74.15 H new ATOM 0 HE ARG A 97 2.108 -8.052 -2.597 1.00 75.52 H new ATOM 0 HH11 ARG A 97 4.687 -8.397 -5.026 1.00 23.43 H new ATOM 0 HH12 ARG A 97 3.538 -8.297 -6.364 1.00 23.43 H new ATOM 0 HH21 ARG A 97 0.722 -7.883 -4.274 1.00 4.22 H new ATOM 0 HH22 ARG A 97 1.298 -8.005 -5.940 1.00 4.22 H new ATOM 1384 N GLU A 98 6.961 -6.995 2.759 1.00 24.34 N ATOM 1385 CA GLU A 98 7.614 -7.203 4.046 1.00 13.33 C ATOM 1386 C GLU A 98 6.883 -6.435 5.145 1.00 74.02 C ATOM 1387 O GLU A 98 6.642 -7.003 6.211 1.00 63.25 O ATOM 1388 CB GLU A 98 9.070 -6.723 4.007 1.00 21.41 C ATOM 1389 CG GLU A 98 10.052 -7.854 3.678 1.00 31.00 C ATOM 1390 CD GLU A 98 10.629 -7.677 2.280 1.00 2.50 C ATOM 1391 OE1 GLU A 98 11.546 -6.831 2.102 1.00 12.13 O ATOM 1392 OE2 GLU A 98 10.149 -8.388 1.366 1.00 24.33 O ATOM 0 H GLU A 98 7.438 -6.333 2.147 1.00 24.34 H new ATOM 0 HA GLU A 98 7.588 -8.272 4.256 1.00 13.33 H new ATOM 0 HB2 GLU A 98 9.169 -5.932 3.263 1.00 21.41 H new ATOM 0 HB3 GLU A 98 9.332 -6.288 4.971 1.00 21.41 H new ATOM 0 HG2 GLU A 98 10.859 -7.866 4.411 1.00 31.00 H new ATOM 0 HG3 GLU A 98 9.543 -8.816 3.748 1.00 31.00 H new ATOM 1397 N GLN A 99 6.568 -5.156 4.897 1.00 72.45 N ATOM 1398 CA GLN A 99 6.119 -4.193 5.900 1.00 52.52 C ATOM 1399 C GLN A 99 5.053 -4.770 6.829 1.00 51.54 C ATOM 1400 O GLN A 99 5.144 -4.572 8.029 1.00 1.12 O ATOM 1401 CB GLN A 99 5.564 -2.942 5.201 1.00 61.01 C ATOM 1402 CG GLN A 99 6.470 -1.715 5.272 1.00 20.31 C ATOM 1403 CD GLN A 99 5.744 -0.448 4.806 1.00 12.30 C ATOM 1404 OE1 GLN A 99 4.528 -0.297 4.958 1.00 41.12 O ATOM 1405 NE2 GLN A 99 6.459 0.495 4.223 1.00 40.15 N ATOM 0 H GLN A 99 6.622 -4.755 3.961 1.00 72.45 H new ATOM 0 HA GLN A 99 6.983 -3.937 6.513 1.00 52.52 H new ATOM 0 HB2 GLN A 99 5.379 -3.180 4.153 1.00 61.01 H new ATOM 0 HB3 GLN A 99 4.601 -2.692 5.646 1.00 61.01 H new ATOM 0 HG2 GLN A 99 6.819 -1.579 6.296 1.00 20.31 H new ATOM 0 HG3 GLN A 99 7.352 -1.878 4.653 1.00 20.31 H new ATOM 0 HE21 GLN A 99 7.463 0.369 4.098 1.00 40.15 H new ATOM 0 HE22 GLN A 99 6.007 1.350 3.897 1.00 40.15 H new ATOM 1412 N ILE A 100 4.057 -5.487 6.303 1.00 22.32 N ATOM 1413 CA ILE A 100 2.956 -6.058 7.081 1.00 13.13 C ATOM 1414 C ILE A 100 3.435 -6.916 8.257 1.00 34.23 C ATOM 1415 O ILE A 100 2.760 -6.981 9.281 1.00 40.54 O ATOM 1416 CB ILE A 100 2.123 -6.952 6.150 1.00 1.24 C ATOM 1417 CG1 ILE A 100 1.507 -6.208 4.942 1.00 54.23 C ATOM 1418 CG2 ILE A 100 1.013 -7.737 6.868 1.00 71.41 C ATOM 1419 CD1 ILE A 100 0.405 -5.199 5.298 1.00 14.44 C ATOM 0 H ILE A 100 3.992 -5.691 5.306 1.00 22.32 H new ATOM 0 HA ILE A 100 2.379 -5.228 7.490 1.00 13.13 H new ATOM 0 HB ILE A 100 2.863 -7.659 5.776 1.00 1.24 H new ATOM 0 HG12 ILE A 100 2.302 -5.684 4.413 1.00 54.23 H new ATOM 0 HG13 ILE A 100 1.096 -6.944 4.251 1.00 54.23 H new ATOM 0 HG21 ILE A 100 0.470 -8.344 6.144 1.00 71.41 H new ATOM 0 HG22 ILE A 100 1.456 -8.385 7.625 1.00 71.41 H new ATOM 0 HG23 ILE A 100 0.325 -7.040 7.345 1.00 71.41 H new ATOM 0 HD11 ILE A 100 0.035 -4.728 4.387 1.00 14.44 H new ATOM 0 HD12 ILE A 100 -0.414 -5.716 5.798 1.00 14.44 H new ATOM 0 HD13 ILE A 100 0.811 -4.436 5.962 1.00 14.44 H new ATOM 1430 N ILE A 101 4.556 -7.624 8.116 1.00 55.12 N ATOM 1431 CA ILE A 101 4.992 -8.581 9.130 1.00 75.03 C ATOM 1432 C ILE A 101 5.405 -7.803 10.370 1.00 44.23 C ATOM 1433 O ILE A 101 5.148 -8.207 11.505 1.00 73.13 O ATOM 1434 CB ILE A 101 6.120 -9.474 8.570 1.00 3.33 C ATOM 1435 CG1 ILE A 101 5.509 -10.402 7.487 1.00 55.44 C ATOM 1436 CG2 ILE A 101 6.867 -10.200 9.702 1.00 21.44 C ATOM 1437 CD1 ILE A 101 6.181 -11.767 7.306 1.00 41.14 C ATOM 0 H ILE A 101 5.177 -7.552 7.310 1.00 55.12 H new ATOM 0 HA ILE A 101 4.183 -9.257 9.408 1.00 75.03 H new ATOM 0 HB ILE A 101 6.894 -8.879 8.085 1.00 3.33 H new ATOM 0 HG12 ILE A 101 4.459 -10.567 7.730 1.00 55.44 H new ATOM 0 HG13 ILE A 101 5.536 -9.878 6.532 1.00 55.44 H new ATOM 0 HG21 ILE A 101 7.656 -10.821 9.278 1.00 21.44 H new ATOM 0 HG22 ILE A 101 7.307 -9.466 10.377 1.00 21.44 H new ATOM 0 HG23 ILE A 101 6.168 -10.828 10.255 1.00 21.44 H new ATOM 0 HD11 ILE A 101 5.667 -12.325 6.523 1.00 41.14 H new ATOM 0 HD12 ILE A 101 7.224 -11.624 7.025 1.00 41.14 H new ATOM 0 HD13 ILE A 101 6.130 -12.324 8.241 1.00 41.14 H new ATOM 1448 N SER A 102 5.980 -6.643 10.110 1.00 24.10 N ATOM 1449 CA SER A 102 6.393 -5.659 11.079 1.00 40.13 C ATOM 1450 C SER A 102 5.182 -5.000 11.792 1.00 0.52 C ATOM 1451 O SER A 102 5.366 -4.174 12.685 1.00 41.41 O ATOM 1452 CB SER A 102 7.278 -4.685 10.295 1.00 15.24 C ATOM 1453 OG SER A 102 8.661 -4.949 10.459 1.00 61.43 O ATOM 0 H SER A 102 6.181 -6.350 9.154 1.00 24.10 H new ATOM 0 HA SER A 102 6.953 -6.091 11.908 1.00 40.13 H new ATOM 0 HB2 SER A 102 7.025 -4.742 9.236 1.00 15.24 H new ATOM 0 HB3 SER A 102 7.066 -3.666 10.619 1.00 15.24 H new ATOM 0 HG SER A 102 9.181 -4.302 9.938 1.00 61.43 H new ATOM 1458 N GLU A 103 3.946 -5.393 11.453 1.00 20.20 N ATOM 1459 CA GLU A 103 2.676 -4.890 11.989 1.00 43.23 C ATOM 1460 C GLU A 103 1.850 -5.996 12.644 1.00 43.15 C ATOM 1461 O GLU A 103 0.769 -5.727 13.174 1.00 63.22 O ATOM 1462 CB GLU A 103 1.792 -4.350 10.854 1.00 11.52 C ATOM 1463 CG GLU A 103 2.546 -3.531 9.818 1.00 71.43 C ATOM 1464 CD GLU A 103 3.181 -2.250 10.362 1.00 73.12 C ATOM 1465 OE1 GLU A 103 2.546 -1.610 11.234 1.00 71.35 O ATOM 1466 OE2 GLU A 103 4.101 -1.700 9.718 1.00 2.30 O ATOM 0 H GLU A 103 3.799 -6.118 10.751 1.00 20.20 H new ATOM 0 HA GLU A 103 2.945 -4.122 12.714 1.00 43.23 H new ATOM 0 HB2 GLU A 103 1.306 -5.189 10.355 1.00 11.52 H new ATOM 0 HB3 GLU A 103 1.002 -3.734 11.284 1.00 11.52 H new ATOM 0 HG2 GLU A 103 3.328 -4.152 9.381 1.00 71.43 H new ATOM 0 HG3 GLU A 103 1.861 -3.268 9.012 1.00 71.43 H new ATOM 1471 N ILE A 104 2.283 -7.249 12.508 1.00 5.50 N ATOM 1472 CA ILE A 104 1.707 -8.377 13.245 1.00 3.24 C ATOM 1473 C ILE A 104 1.938 -8.062 14.715 1.00 71.21 C ATOM 1474 O ILE A 104 0.958 -7.837 15.451 1.00 30.40 O ATOM 1475 CB ILE A 104 2.330 -9.725 12.801 1.00 52.33 C ATOM 1476 CG1 ILE A 104 2.106 -9.971 11.291 1.00 30.31 C ATOM 1477 CG2 ILE A 104 1.727 -10.898 13.600 1.00 25.14 C ATOM 1478 CD1 ILE A 104 2.917 -11.158 10.761 1.00 73.04 C ATOM 0 H ILE A 104 3.045 -7.513 11.883 1.00 5.50 H new ATOM 0 HA ILE A 104 0.642 -8.498 13.046 1.00 3.24 H new ATOM 0 HB ILE A 104 3.401 -9.668 12.997 1.00 52.33 H new ATOM 0 HG12 ILE A 104 1.046 -10.150 11.109 1.00 30.31 H new ATOM 0 HG13 ILE A 104 2.378 -9.073 10.736 1.00 30.31 H new ATOM 0 HG21 ILE A 104 2.180 -11.833 13.271 1.00 25.14 H new ATOM 0 HG22 ILE A 104 1.924 -10.754 14.662 1.00 25.14 H new ATOM 0 HG23 ILE A 104 0.651 -10.937 13.432 1.00 25.14 H new ATOM 0 HD11 ILE A 104 2.722 -11.286 9.696 1.00 73.04 H new ATOM 0 HD12 ILE A 104 3.980 -10.971 10.915 1.00 73.04 H new ATOM 0 HD13 ILE A 104 2.627 -12.064 11.294 1.00 73.04 H new