USER MOD reduce.3.24.130724 H: found=0, std=0, add=649, rem=0, adj=8 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= 0.0283 K(o=0.028,f=-5.9!) USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 ASN : amide:sc= -1.79 K(o=-1.8,f=-6.5!) 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 174:sc= 1.22 USER MOD Single : A 54 THR OG1 : rot 180:sc= 0 USER MOD Single : A 71 LYS NZ :NH3+ -145:sc= 1.22 (180deg=-0.18!) 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+ 180:sc= 0 (180deg=0) USER MOD Single : A 89 MET CE :methyl -158:sc= -0.0425 (180deg=-0.274) USER MOD Single : A 95 THR OG1 : rot 129:sc= 1.23 USER MOD Single : A 99 GLN : amide:sc= -4.48! C(o=-4.5!,f=-4.9!) USER MOD Single : A 102 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 189 N LYS A 14 2.399 -17.266 9.046 1.00 45.43 N ATOM 190 CA LYS A 14 0.971 -16.971 8.963 1.00 43.50 C ATOM 191 C LYS A 14 0.652 -16.071 7.772 1.00 30.21 C ATOM 192 O LYS A 14 -0.333 -16.304 7.082 1.00 52.21 O ATOM 193 CB LYS A 14 0.516 -16.319 10.278 1.00 14.11 C ATOM 194 CG LYS A 14 -1.006 -16.319 10.463 1.00 50.30 C ATOM 195 CD LYS A 14 -1.556 -17.695 10.861 1.00 52.20 C ATOM 196 CE LYS A 14 -3.074 -17.611 10.982 1.00 62.11 C ATOM 197 NZ LYS A 14 -3.690 -18.892 11.380 1.00 65.40 N ATOM 0 HA LYS A 14 0.428 -17.904 8.811 1.00 43.50 H new ATOM 0 HB2 LYS A 14 0.976 -16.845 11.114 1.00 14.11 H new ATOM 0 HB3 LYS A 14 0.878 -15.292 10.310 1.00 14.11 H new ATOM 0 HG2 LYS A 14 -1.275 -15.590 11.228 1.00 50.30 H new ATOM 0 HG3 LYS A 14 -1.480 -15.997 9.536 1.00 50.30 H new ATOM 0 HD2 LYS A 14 -1.279 -18.440 10.115 1.00 52.20 H new ATOM 0 HD3 LYS A 14 -1.121 -18.014 11.808 1.00 52.20 H new ATOM 0 HE2 LYS A 14 -3.333 -16.846 11.714 1.00 62.11 H new ATOM 0 HE3 LYS A 14 -3.493 -17.293 10.027 1.00 62.11 H new ATOM 0 HZ1 LYS A 14 -4.721 -18.775 11.446 1.00 65.40 H new ATOM 0 HZ2 LYS A 14 -3.469 -19.619 10.670 1.00 65.40 H new ATOM 0 HZ3 LYS A 14 -3.315 -19.185 12.304 1.00 65.40 H new ATOM 207 N PHE A 15 1.469 -15.045 7.547 1.00 4.14 N ATOM 208 CA PHE A 15 1.309 -14.110 6.451 1.00 41.44 C ATOM 209 C PHE A 15 1.918 -14.699 5.180 1.00 25.24 C ATOM 210 O PHE A 15 1.299 -14.611 4.120 1.00 33.42 O ATOM 211 CB PHE A 15 1.937 -12.768 6.840 1.00 3.33 C ATOM 212 CG PHE A 15 1.326 -12.129 8.070 1.00 50.41 C ATOM 213 CD1 PHE A 15 0.080 -11.480 7.992 1.00 21.42 C ATOM 214 CD2 PHE A 15 2.007 -12.178 9.299 1.00 62.33 C ATOM 215 CE1 PHE A 15 -0.478 -10.880 9.132 1.00 64.30 C ATOM 216 CE2 PHE A 15 1.443 -11.585 10.440 1.00 71.32 C ATOM 217 CZ PHE A 15 0.200 -10.935 10.360 1.00 33.22 C ATOM 0 H PHE A 15 2.276 -14.841 8.137 1.00 4.14 H new ATOM 0 HA PHE A 15 0.253 -13.932 6.247 1.00 41.44 H new ATOM 0 HB2 PHE A 15 3.003 -12.915 7.013 1.00 3.33 H new ATOM 0 HB3 PHE A 15 1.842 -12.079 6.001 1.00 3.33 H new ATOM 0 HD1 PHE A 15 -0.449 -11.443 7.051 1.00 21.42 H new ATOM 0 HD2 PHE A 15 2.965 -12.672 9.366 1.00 62.33 H new ATOM 0 HE1 PHE A 15 -1.430 -10.375 9.064 1.00 64.30 H new ATOM 0 HE2 PHE A 15 1.967 -11.629 11.383 1.00 71.32 H new ATOM 0 HZ PHE A 15 -0.232 -10.480 11.239 1.00 33.22 H new ATOM 226 N ALA A 16 3.085 -15.348 5.273 1.00 2.44 N ATOM 227 CA ALA A 16 3.825 -15.881 4.128 1.00 54.32 C ATOM 228 C ALA A 16 3.018 -16.893 3.309 1.00 32.13 C ATOM 229 O ALA A 16 3.298 -17.086 2.125 1.00 33.32 O ATOM 230 CB ALA A 16 5.115 -16.549 4.612 1.00 45.52 C ATOM 0 H ALA A 16 3.549 -15.520 6.165 1.00 2.44 H new ATOM 0 HA ALA A 16 4.044 -15.035 3.477 1.00 54.32 H new ATOM 0 HB1 ALA A 16 5.663 -16.944 3.757 1.00 45.52 H new ATOM 0 HB2 ALA A 16 5.732 -15.815 5.131 1.00 45.52 H new ATOM 0 HB3 ALA A 16 4.869 -17.363 5.294 1.00 45.52 H new ATOM 236 N HIS A 17 2.021 -17.529 3.926 1.00 21.35 N ATOM 237 CA HIS A 17 1.084 -18.433 3.277 1.00 45.50 C ATOM 238 C HIS A 17 0.139 -17.747 2.277 1.00 22.11 C ATOM 239 O HIS A 17 -0.508 -18.462 1.510 1.00 21.33 O ATOM 240 CB HIS A 17 0.291 -19.167 4.366 1.00 42.13 C ATOM 241 CG HIS A 17 0.933 -20.477 4.733 1.00 73.30 C ATOM 242 ND1 HIS A 17 0.390 -21.708 4.463 1.00 22.34 N ATOM 243 CD2 HIS A 17 2.171 -20.676 5.288 1.00 14.14 C ATOM 244 CE1 HIS A 17 1.279 -22.633 4.851 1.00 10.52 C ATOM 245 NE2 HIS A 17 2.377 -22.059 5.380 1.00 61.14 N ATOM 0 H HIS A 17 1.842 -17.422 4.924 1.00 21.35 H new ATOM 0 HA HIS A 17 1.664 -19.134 2.676 1.00 45.50 H new ATOM 0 HB2 HIS A 17 0.219 -18.536 5.252 1.00 42.13 H new ATOM 0 HB3 HIS A 17 -0.726 -19.345 4.018 1.00 42.13 H new ATOM 0 HD2 HIS A 17 2.862 -19.906 5.598 1.00 14.14 H new ATOM 0 HE1 HIS A 17 1.134 -23.699 4.752 1.00 10.52 H new ATOM 0 HE2 HIS A 17 3.192 -22.534 5.768 1.00 61.14 H new ATOM 252 N ASP A 18 0.092 -16.410 2.243 1.00 34.21 N ATOM 253 CA ASP A 18 -0.888 -15.545 1.577 1.00 72.20 C ATOM 254 C ASP A 18 -2.208 -15.528 2.368 1.00 62.01 C ATOM 255 O ASP A 18 -2.308 -16.082 3.468 1.00 44.43 O ATOM 256 CB ASP A 18 -1.099 -15.845 0.071 1.00 54.21 C ATOM 257 CG ASP A 18 0.172 -15.697 -0.767 1.00 10.44 C ATOM 258 OD1 ASP A 18 0.543 -14.538 -1.075 1.00 2.41 O ATOM 259 OD2 ASP A 18 0.789 -16.704 -1.188 1.00 61.12 O ATOM 0 H ASP A 18 0.802 -15.857 2.724 1.00 34.21 H new ATOM 0 HA ASP A 18 -0.464 -14.541 1.582 1.00 72.20 H new ATOM 0 HB2 ASP A 18 -1.480 -16.860 -0.039 1.00 54.21 H new ATOM 0 HB3 ASP A 18 -1.863 -15.174 -0.321 1.00 54.21 H new ATOM 263 N ALA A 19 -3.218 -14.835 1.829 1.00 10.13 N ATOM 264 CA ALA A 19 -4.533 -14.521 2.383 1.00 51.41 C ATOM 265 C ALA A 19 -4.431 -13.555 3.566 1.00 61.11 C ATOM 266 O ALA A 19 -4.852 -12.404 3.465 1.00 65.04 O ATOM 267 CB ALA A 19 -5.343 -15.789 2.690 1.00 41.22 C ATOM 0 H ALA A 19 -3.119 -14.440 0.894 1.00 10.13 H new ATOM 0 HA ALA A 19 -5.100 -13.992 1.617 1.00 51.41 H new ATOM 0 HB1 ALA A 19 -6.314 -15.510 3.100 1.00 41.22 H new ATOM 0 HB2 ALA A 19 -5.487 -16.360 1.773 1.00 41.22 H new ATOM 0 HB3 ALA A 19 -4.804 -16.398 3.416 1.00 41.22 H new ATOM 273 N GLU A 20 -3.841 -13.983 4.680 1.00 44.13 N ATOM 274 CA GLU A 20 -3.652 -13.160 5.874 1.00 64.32 C ATOM 275 C GLU A 20 -2.837 -11.906 5.535 1.00 43.13 C ATOM 276 O GLU A 20 -3.160 -10.808 5.999 1.00 61.01 O ATOM 277 CB GLU A 20 -2.908 -14.010 6.919 1.00 52.12 C ATOM 278 CG GLU A 20 -2.918 -13.431 8.345 1.00 41.24 C ATOM 279 CD GLU A 20 -4.106 -13.886 9.204 1.00 63.11 C ATOM 280 OE1 GLU A 20 -4.651 -14.990 8.979 1.00 23.04 O ATOM 281 OE2 GLU A 20 -4.440 -13.189 10.189 1.00 21.02 O ATOM 0 H GLU A 20 -3.474 -14.929 4.781 1.00 44.13 H new ATOM 0 HA GLU A 20 -4.617 -12.836 6.264 1.00 64.32 H new ATOM 0 HB2 GLU A 20 -3.354 -15.004 6.942 1.00 52.12 H new ATOM 0 HB3 GLU A 20 -1.873 -14.132 6.598 1.00 52.12 H new ATOM 0 HG2 GLU A 20 -1.993 -13.715 8.846 1.00 41.24 H new ATOM 0 HG3 GLU A 20 -2.926 -12.343 8.283 1.00 41.24 H new ATOM 286 N LEU A 21 -1.785 -12.073 4.719 1.00 70.32 N ATOM 287 CA LEU A 21 -0.895 -10.989 4.314 1.00 32.22 C ATOM 288 C LEU A 21 -1.602 -10.006 3.422 1.00 12.52 C ATOM 289 O LEU A 21 -1.453 -8.800 3.600 1.00 42.53 O ATOM 290 CB LEU A 21 0.318 -11.556 3.560 1.00 51.24 C ATOM 291 CG LEU A 21 1.336 -10.514 3.056 1.00 65.14 C ATOM 292 CD1 LEU A 21 1.917 -9.644 4.177 1.00 54.22 C ATOM 293 CD2 LEU A 21 2.471 -11.260 2.355 1.00 61.41 C ATOM 0 H LEU A 21 -1.531 -12.977 4.321 1.00 70.32 H new ATOM 0 HA LEU A 21 -0.569 -10.475 5.219 1.00 32.22 H new ATOM 0 HB2 LEU A 21 0.836 -12.256 4.216 1.00 51.24 H new ATOM 0 HB3 LEU A 21 -0.043 -12.128 2.705 1.00 51.24 H new ATOM 0 HG LEU A 21 0.814 -9.839 2.378 1.00 65.14 H new ATOM 0 HD11 LEU A 21 2.626 -8.932 3.755 1.00 54.22 H new ATOM 0 HD12 LEU A 21 1.111 -9.103 4.672 1.00 54.22 H new ATOM 0 HD13 LEU A 21 2.428 -10.278 4.902 1.00 54.22 H new ATOM 0 HD21 LEU A 21 3.206 -10.543 1.989 1.00 61.41 H new ATOM 0 HD22 LEU A 21 2.948 -11.941 3.059 1.00 61.41 H new ATOM 0 HD23 LEU A 21 2.069 -11.829 1.516 1.00 61.41 H new ATOM 304 N ASN A 22 -2.368 -10.542 2.477 1.00 45.44 N ATOM 305 CA ASN A 22 -3.076 -9.813 1.438 1.00 62.23 C ATOM 306 C ASN A 22 -3.836 -8.676 2.110 1.00 53.51 C ATOM 307 O ASN A 22 -3.698 -7.523 1.717 1.00 33.42 O ATOM 308 CB ASN A 22 -4.017 -10.757 0.645 1.00 71.10 C ATOM 309 CG ASN A 22 -3.319 -11.964 0.006 1.00 14.53 C ATOM 310 OD1 ASN A 22 -2.299 -12.448 0.499 1.00 63.44 O ATOM 311 ND2 ASN A 22 -3.836 -12.521 -1.072 1.00 3.13 N ATOM 0 H ASN A 22 -2.517 -11.549 2.415 1.00 45.44 H new ATOM 0 HA ASN A 22 -2.377 -9.402 0.710 1.00 62.23 H new ATOM 0 HB2 ASN A 22 -4.797 -11.118 1.315 1.00 71.10 H new ATOM 0 HB3 ASN A 22 -4.511 -10.182 -0.139 1.00 71.10 H new ATOM 0 HD21 ASN A 22 -3.392 -13.341 -1.486 1.00 3.13 H new ATOM 0 HD22 ASN A 22 -4.680 -12.132 -1.492 1.00 3.13 H new ATOM 317 N PHE A 23 -4.509 -8.985 3.220 1.00 62.30 N ATOM 318 CA PHE A 23 -5.445 -8.083 3.872 1.00 65.23 C ATOM 319 C PHE A 23 -4.767 -6.915 4.585 1.00 62.43 C ATOM 320 O PHE A 23 -5.298 -5.808 4.640 1.00 12.11 O ATOM 321 CB PHE A 23 -6.280 -8.920 4.841 1.00 45.44 C ATOM 322 CG PHE A 23 -7.513 -8.220 5.394 1.00 32.21 C ATOM 323 CD1 PHE A 23 -8.380 -7.531 4.524 1.00 42.13 C ATOM 324 CD2 PHE A 23 -7.828 -8.295 6.764 1.00 43.14 C ATOM 325 CE1 PHE A 23 -9.552 -6.931 5.011 1.00 62.14 C ATOM 326 CE2 PHE A 23 -9.004 -7.695 7.253 1.00 64.23 C ATOM 327 CZ PHE A 23 -9.869 -7.016 6.375 1.00 31.11 C ATOM 0 H PHE A 23 -4.414 -9.883 3.694 1.00 62.30 H new ATOM 0 HA PHE A 23 -6.074 -7.615 3.114 1.00 65.23 H new ATOM 0 HB2 PHE A 23 -6.595 -9.831 4.333 1.00 45.44 H new ATOM 0 HB3 PHE A 23 -5.647 -9.223 5.675 1.00 45.44 H new ATOM 0 HD1 PHE A 23 -8.141 -7.464 3.473 1.00 42.13 H new ATOM 0 HD2 PHE A 23 -7.166 -8.814 7.441 1.00 43.14 H new ATOM 0 HE1 PHE A 23 -10.210 -6.404 4.336 1.00 62.14 H new ATOM 0 HE2 PHE A 23 -9.243 -7.756 8.304 1.00 64.23 H new ATOM 0 HZ PHE A 23 -10.774 -6.562 6.750 1.00 31.11 H new ATOM 336 N LYS A 24 -3.582 -7.133 5.156 1.00 43.42 N ATOM 337 CA LYS A 24 -2.795 -6.060 5.745 1.00 50.34 C ATOM 338 C LYS A 24 -2.119 -5.262 4.641 1.00 33.23 C ATOM 339 O LYS A 24 -2.229 -4.033 4.600 1.00 22.02 O ATOM 340 CB LYS A 24 -1.756 -6.686 6.684 1.00 23.02 C ATOM 341 CG LYS A 24 -2.372 -7.432 7.883 1.00 51.20 C ATOM 342 CD LYS A 24 -1.993 -6.798 9.223 1.00 51.34 C ATOM 343 CE LYS A 24 -0.489 -6.917 9.495 1.00 44.14 C ATOM 344 NZ LYS A 24 -0.125 -6.452 10.854 1.00 42.40 N ATOM 0 H LYS A 24 -3.147 -8.053 5.221 1.00 43.42 H new ATOM 0 HA LYS A 24 -3.431 -5.381 6.313 1.00 50.34 H new ATOM 0 HB2 LYS A 24 -1.137 -7.380 6.115 1.00 23.02 H new ATOM 0 HB3 LYS A 24 -1.096 -5.902 7.056 1.00 23.02 H new ATOM 0 HG2 LYS A 24 -3.457 -7.441 7.783 1.00 51.20 H new ATOM 0 HG3 LYS A 24 -2.042 -8.471 7.869 1.00 51.20 H new ATOM 0 HD2 LYS A 24 -2.282 -5.747 9.224 1.00 51.34 H new ATOM 0 HD3 LYS A 24 -2.549 -7.282 10.026 1.00 51.34 H new ATOM 0 HE2 LYS A 24 -0.181 -7.956 9.374 1.00 44.14 H new ATOM 0 HE3 LYS A 24 0.059 -6.334 8.755 1.00 44.14 H new ATOM 0 HZ1 LYS A 24 0.901 -6.551 10.992 1.00 42.40 H new ATOM 0 HZ2 LYS A 24 -0.394 -5.453 10.963 1.00 42.40 H new ATOM 0 HZ3 LYS A 24 -0.626 -7.025 11.563 1.00 42.40 H new ATOM 354 N ALA A 25 -1.409 -5.961 3.756 1.00 65.33 N ATOM 355 CA ALA A 25 -0.562 -5.366 2.743 1.00 53.33 C ATOM 356 C ALA A 25 -1.382 -4.514 1.776 1.00 3.23 C ATOM 357 O ALA A 25 -0.891 -3.462 1.376 1.00 53.34 O ATOM 358 CB ALA A 25 0.223 -6.466 2.023 1.00 13.35 C ATOM 0 H ALA A 25 -1.412 -6.981 3.730 1.00 65.33 H new ATOM 0 HA ALA A 25 0.154 -4.695 3.218 1.00 53.33 H new ATOM 0 HB1 ALA A 25 0.861 -6.018 1.261 1.00 13.35 H new ATOM 0 HB2 ALA A 25 0.841 -7.003 2.743 1.00 13.35 H new ATOM 0 HB3 ALA A 25 -0.473 -7.161 1.552 1.00 13.35 H new ATOM 364 N GLU A 26 -2.615 -4.907 1.431 1.00 1.35 N ATOM 365 CA GLU A 26 -3.475 -4.180 0.493 1.00 10.41 C ATOM 366 C GLU A 26 -3.701 -2.736 0.925 1.00 24.34 C ATOM 367 O GLU A 26 -3.683 -1.813 0.112 1.00 42.31 O ATOM 368 CB GLU A 26 -4.820 -4.915 0.286 1.00 64.14 C ATOM 369 CG GLU A 26 -5.810 -4.883 1.471 1.00 30.01 C ATOM 370 CD GLU A 26 -6.973 -3.901 1.264 1.00 2.31 C ATOM 371 OE1 GLU A 26 -7.825 -4.185 0.387 1.00 65.10 O ATOM 372 OE2 GLU A 26 -7.066 -2.867 1.969 1.00 1.52 O ATOM 0 H GLU A 26 -3.048 -5.752 1.803 1.00 1.35 H new ATOM 0 HA GLU A 26 -2.953 -4.151 -0.463 1.00 10.41 H new ATOM 0 HB2 GLU A 26 -5.315 -4.483 -0.584 1.00 64.14 H new ATOM 0 HB3 GLU A 26 -4.607 -5.957 0.047 1.00 64.14 H new ATOM 0 HG2 GLU A 26 -6.212 -5.884 1.627 1.00 30.01 H new ATOM 0 HG3 GLU A 26 -5.271 -4.611 2.379 1.00 30.01 H new ATOM 377 N ALA A 27 -3.849 -2.541 2.226 1.00 31.11 N ATOM 378 CA ALA A 27 -4.040 -1.245 2.814 1.00 2.35 C ATOM 379 C ALA A 27 -2.712 -0.512 2.866 1.00 22.34 C ATOM 380 O ALA A 27 -2.588 0.590 2.336 1.00 61.12 O ATOM 381 CB ALA A 27 -4.616 -1.459 4.201 1.00 71.10 C ATOM 0 H ALA A 27 -3.838 -3.300 2.907 1.00 31.11 H new ATOM 0 HA ALA A 27 -4.725 -0.634 2.226 1.00 2.35 H new ATOM 0 HB1 ALA A 27 -4.776 -0.494 4.682 1.00 71.10 H new ATOM 0 HB2 ALA A 27 -5.566 -1.987 4.123 1.00 71.10 H new ATOM 0 HB3 ALA A 27 -3.920 -2.050 4.797 1.00 71.10 H new ATOM 387 N ARG A 28 -1.704 -1.135 3.490 1.00 52.40 N ATOM 388 CA ARG A 28 -0.413 -0.495 3.721 1.00 44.23 C ATOM 389 C ARG A 28 0.167 0.004 2.395 1.00 5.22 C ATOM 390 O ARG A 28 0.496 1.180 2.288 1.00 74.41 O ATOM 391 CB ARG A 28 0.528 -1.451 4.479 1.00 73.40 C ATOM 392 CG ARG A 28 1.718 -0.730 5.136 1.00 22.05 C ATOM 393 CD ARG A 28 1.366 0.003 6.440 1.00 61.33 C ATOM 394 NE ARG A 28 1.263 -0.936 7.568 1.00 62.34 N ATOM 395 CZ ARG A 28 0.432 -0.915 8.612 1.00 31.11 C ATOM 396 NH1 ARG A 28 -0.448 0.063 8.747 1.00 30.03 N ATOM 397 NH2 ARG A 28 0.480 -1.887 9.510 1.00 73.10 N ATOM 0 H ARG A 28 -1.764 -2.089 3.845 1.00 52.40 H new ATOM 0 HA ARG A 28 -0.538 0.381 4.357 1.00 44.23 H new ATOM 0 HB2 ARG A 28 -0.039 -1.977 5.247 1.00 73.40 H new ATOM 0 HB3 ARG A 28 0.904 -2.205 3.788 1.00 73.40 H new ATOM 0 HG2 ARG A 28 2.502 -1.459 5.342 1.00 22.05 H new ATOM 0 HG3 ARG A 28 2.129 -0.011 4.427 1.00 22.05 H new ATOM 0 HD2 ARG A 28 2.128 0.752 6.656 1.00 61.33 H new ATOM 0 HD3 ARG A 28 0.422 0.534 6.318 1.00 61.33 H new ATOM 0 HE ARG A 28 1.921 -1.715 7.549 1.00 62.34 H new ATOM 0 HH11 ARG A 28 -0.494 0.807 8.051 1.00 30.03 H new ATOM 0 HH12 ARG A 28 -1.080 0.073 9.547 1.00 30.03 H new ATOM 0 HH21 ARG A 28 1.150 -2.648 9.402 1.00 73.10 H new ATOM 0 HH22 ARG A 28 -0.153 -1.875 10.309 1.00 73.10 H new ATOM 408 N ARG A 29 0.220 -0.838 1.359 1.00 65.32 N ATOM 409 CA ARG A 29 0.800 -0.502 0.055 1.00 1.33 C ATOM 410 C ARG A 29 0.141 0.731 -0.568 1.00 32.24 C ATOM 411 O ARG A 29 0.840 1.617 -1.060 1.00 62.23 O ATOM 412 CB ARG A 29 0.737 -1.746 -0.866 1.00 52.20 C ATOM 413 CG ARG A 29 -0.635 -2.069 -1.480 1.00 11.31 C ATOM 414 CD ARG A 29 -0.706 -3.522 -1.960 1.00 31.33 C ATOM 415 NE ARG A 29 -1.901 -3.799 -2.774 1.00 65.32 N ATOM 416 CZ ARG A 29 -2.487 -5.000 -2.872 1.00 64.31 C ATOM 417 NH1 ARG A 29 -1.876 -6.061 -2.364 1.00 62.32 N ATOM 418 NH2 ARG A 29 -3.684 -5.135 -3.428 1.00 21.21 N ATOM 0 H ARG A 29 -0.145 -1.789 1.404 1.00 65.32 H new ATOM 0 HA ARG A 29 1.846 -0.228 0.190 1.00 1.33 H new ATOM 0 HB2 ARG A 29 1.451 -1.607 -1.678 1.00 52.20 H new ATOM 0 HB3 ARG A 29 1.069 -2.613 -0.294 1.00 52.20 H new ATOM 0 HG2 ARG A 29 -1.417 -1.890 -0.742 1.00 11.31 H new ATOM 0 HG3 ARG A 29 -0.827 -1.398 -2.317 1.00 11.31 H new ATOM 0 HD2 ARG A 29 0.186 -3.750 -2.544 1.00 31.33 H new ATOM 0 HD3 ARG A 29 -0.700 -4.186 -1.095 1.00 31.33 H new ATOM 0 HE ARG A 29 -2.310 -3.025 -3.298 1.00 65.32 H new ATOM 0 HH11 ARG A 29 -0.971 -5.957 -1.905 1.00 62.32 H new ATOM 0 HH12 ARG A 29 -2.311 -6.981 -2.432 1.00 62.32 H new ATOM 0 HH21 ARG A 29 -4.174 -4.317 -3.790 1.00 21.21 H new ATOM 0 HH22 ARG A 29 -4.115 -6.057 -3.494 1.00 21.21 H new ATOM 429 N ASN A 30 -1.192 0.794 -0.534 1.00 61.01 N ATOM 430 CA ASN A 30 -1.970 1.907 -1.071 1.00 54.14 C ATOM 431 C ASN A 30 -1.688 3.158 -0.244 1.00 22.03 C ATOM 432 O ASN A 30 -1.401 4.209 -0.815 1.00 62.11 O ATOM 433 CB ASN A 30 -3.469 1.499 -1.131 1.00 51.44 C ATOM 434 CG ASN A 30 -4.407 1.994 -0.030 1.00 12.33 C ATOM 435 OD1 ASN A 30 -4.466 3.164 0.323 1.00 31.31 O ATOM 436 ND2 ASN A 30 -5.204 1.095 0.516 1.00 70.11 N ATOM 0 H ASN A 30 -1.769 0.059 -0.125 1.00 61.01 H new ATOM 0 HA ASN A 30 -1.680 2.147 -2.094 1.00 54.14 H new ATOM 0 HB2 ASN A 30 -3.868 1.843 -2.085 1.00 51.44 H new ATOM 0 HB3 ASN A 30 -3.515 0.410 -1.141 1.00 51.44 H new ATOM 0 HD21 ASN A 30 -5.872 1.375 1.235 1.00 70.11 H new ATOM 0 HD22 ASN A 30 -5.152 0.120 0.219 1.00 70.11 H new ATOM 442 N ARG A 31 -1.662 3.028 1.089 1.00 24.15 N ATOM 443 CA ARG A 31 -1.425 4.137 1.999 1.00 64.01 C ATOM 444 C ARG A 31 -0.106 4.819 1.673 1.00 54.41 C ATOM 445 O ARG A 31 -0.088 6.045 1.577 1.00 1.12 O ATOM 446 CB ARG A 31 -1.514 3.640 3.452 1.00 10.53 C ATOM 447 CG ARG A 31 -1.326 4.775 4.468 1.00 45.52 C ATOM 448 CD ARG A 31 -1.950 4.415 5.826 1.00 62.43 C ATOM 449 NE ARG A 31 -1.020 3.694 6.700 1.00 32.33 N ATOM 450 CZ ARG A 31 -1.305 3.258 7.930 1.00 44.14 C ATOM 451 NH1 ARG A 31 -2.557 3.076 8.335 1.00 51.53 N ATOM 452 NH2 ARG A 31 -0.308 2.975 8.752 1.00 25.34 N ATOM 0 H ARG A 31 -1.807 2.137 1.563 1.00 24.15 H new ATOM 0 HA ARG A 31 -2.196 4.897 1.875 1.00 64.01 H new ATOM 0 HB2 ARG A 31 -2.483 3.168 3.613 1.00 10.53 H new ATOM 0 HB3 ARG A 31 -0.755 2.876 3.620 1.00 10.53 H new ATOM 0 HG2 ARG A 31 -0.263 4.979 4.596 1.00 45.52 H new ATOM 0 HG3 ARG A 31 -1.782 5.688 4.086 1.00 45.52 H new ATOM 0 HD2 ARG A 31 -2.278 5.327 6.324 1.00 62.43 H new ATOM 0 HD3 ARG A 31 -2.838 3.804 5.663 1.00 62.43 H new ATOM 0 HE ARG A 31 -0.083 3.511 6.341 1.00 32.33 H new ATOM 0 HH11 ARG A 31 -3.332 3.270 7.700 1.00 51.53 H new ATOM 0 HH12 ARG A 31 -2.744 2.742 9.280 1.00 51.53 H new ATOM 0 HH21 ARG A 31 0.657 3.091 8.442 1.00 25.34 H new ATOM 0 HH22 ARG A 31 -0.504 2.641 9.696 1.00 25.34 H new ATOM 463 N LEU A 32 0.964 4.037 1.474 1.00 12.51 N ATOM 464 CA LEU A 32 2.301 4.562 1.195 1.00 33.15 C ATOM 465 C LEU A 32 2.277 5.404 -0.097 1.00 31.03 C ATOM 466 O LEU A 32 2.886 6.470 -0.158 1.00 5.33 O ATOM 467 CB LEU A 32 3.372 3.437 1.126 1.00 62.20 C ATOM 468 CG LEU A 32 3.475 2.390 2.264 1.00 61.00 C ATOM 469 CD1 LEU A 32 4.852 1.711 2.380 1.00 52.34 C ATOM 470 CD2 LEU A 32 3.094 2.902 3.658 1.00 32.25 C ATOM 0 H LEU A 32 0.923 3.018 1.503 1.00 12.51 H new ATOM 0 HA LEU A 32 2.590 5.206 2.025 1.00 33.15 H new ATOM 0 HB2 LEU A 32 3.208 2.890 0.197 1.00 62.20 H new ATOM 0 HB3 LEU A 32 4.345 3.921 1.043 1.00 62.20 H new ATOM 0 HG LEU A 32 2.732 1.660 1.943 1.00 61.00 H new ATOM 0 HD11 LEU A 32 4.836 0.994 3.201 1.00 52.34 H new ATOM 0 HD12 LEU A 32 5.081 1.192 1.449 1.00 52.34 H new ATOM 0 HD13 LEU A 32 5.615 2.466 2.572 1.00 52.34 H new ATOM 0 HD21 LEU A 32 3.199 2.095 4.383 1.00 32.25 H new ATOM 0 HD22 LEU A 32 3.751 3.727 3.935 1.00 32.25 H new ATOM 0 HD23 LEU A 32 2.061 3.249 3.648 1.00 32.25 H new ATOM 481 N LEU A 33 1.551 4.966 -1.136 1.00 43.44 N ATOM 482 CA LEU A 33 1.440 5.698 -2.403 1.00 1.34 C ATOM 483 C LEU A 33 0.597 6.968 -2.246 1.00 30.12 C ATOM 484 O LEU A 33 0.857 7.983 -2.897 1.00 34.25 O ATOM 485 CB LEU A 33 0.804 4.781 -3.462 1.00 10.31 C ATOM 486 CG LEU A 33 0.915 5.317 -4.906 1.00 3.45 C ATOM 487 CD1 LEU A 33 2.351 5.357 -5.420 1.00 21.14 C ATOM 488 CD2 LEU A 33 0.186 4.386 -5.864 1.00 31.15 C ATOM 0 H LEU A 33 1.024 4.093 -1.120 1.00 43.44 H new ATOM 0 HA LEU A 33 2.440 5.998 -2.716 1.00 1.34 H new ATOM 0 HB2 LEU A 33 1.279 3.801 -3.412 1.00 10.31 H new ATOM 0 HB3 LEU A 33 -0.249 4.638 -3.219 1.00 10.31 H new ATOM 0 HG LEU A 33 0.494 6.322 -4.872 1.00 3.45 H new ATOM 0 HD11 LEU A 33 2.362 5.743 -6.439 1.00 21.14 H new ATOM 0 HD12 LEU A 33 2.949 6.006 -4.780 1.00 21.14 H new ATOM 0 HD13 LEU A 33 2.770 4.351 -5.408 1.00 21.14 H new ATOM 0 HD21 LEU A 33 0.269 4.772 -6.880 1.00 31.15 H new ATOM 0 HD22 LEU A 33 0.631 3.392 -5.815 1.00 31.15 H new ATOM 0 HD23 LEU A 33 -0.866 4.326 -5.584 1.00 31.15 H new ATOM 499 N GLY A 34 -0.421 6.917 -1.385 1.00 21.21 N ATOM 500 CA GLY A 34 -1.282 8.042 -1.064 1.00 61.40 C ATOM 501 C GLY A 34 -0.476 9.184 -0.455 1.00 53.43 C ATOM 502 O GLY A 34 -0.460 10.292 -0.990 1.00 61.22 O ATOM 0 H GLY A 34 -0.671 6.066 -0.881 1.00 21.21 H new ATOM 0 HA2 GLY A 34 -1.787 8.388 -1.966 1.00 61.40 H new ATOM 0 HA3 GLY A 34 -2.057 7.725 -0.366 1.00 61.40 H new ATOM 506 N GLU A 35 0.187 8.925 0.674 1.00 65.00 N ATOM 507 CA GLU A 35 0.880 9.970 1.432 1.00 50.54 C ATOM 508 C GLU A 35 2.115 10.521 0.712 1.00 54.54 C ATOM 509 O GLU A 35 2.476 11.676 0.938 1.00 30.21 O ATOM 510 CB GLU A 35 1.179 9.499 2.864 1.00 1.24 C ATOM 511 CG GLU A 35 2.020 8.219 2.998 1.00 21.21 C ATOM 512 CD GLU A 35 3.535 8.383 2.892 1.00 13.33 C ATOM 513 OE1 GLU A 35 4.075 9.460 3.229 1.00 63.31 O ATOM 514 OE2 GLU A 35 4.198 7.353 2.647 1.00 70.21 O ATOM 0 H GLU A 35 0.259 7.995 1.086 1.00 65.00 H new ATOM 0 HA GLU A 35 0.201 10.820 1.503 1.00 50.54 H new ATOM 0 HB2 GLU A 35 1.695 10.304 3.388 1.00 1.24 H new ATOM 0 HB3 GLU A 35 0.231 9.341 3.377 1.00 1.24 H new ATOM 0 HG2 GLU A 35 1.793 7.761 3.961 1.00 21.21 H new ATOM 0 HG3 GLU A 35 1.698 7.518 2.228 1.00 21.21 H new ATOM 519 N TRP A 36 2.728 9.744 -0.186 1.00 52.10 N ATOM 520 CA TRP A 36 3.756 10.231 -1.100 1.00 61.34 C ATOM 521 C TRP A 36 3.182 11.371 -1.950 1.00 24.21 C ATOM 522 O TRP A 36 3.607 12.520 -1.836 1.00 51.41 O ATOM 523 CB TRP A 36 4.258 9.060 -1.960 1.00 70.31 C ATOM 524 CG TRP A 36 5.139 9.422 -3.117 1.00 30.23 C ATOM 525 CD1 TRP A 36 6.367 9.986 -3.039 1.00 45.20 C ATOM 526 CD2 TRP A 36 4.844 9.309 -4.544 1.00 45.52 C ATOM 527 NE1 TRP A 36 6.863 10.190 -4.310 1.00 5.31 N ATOM 528 CE2 TRP A 36 5.961 9.802 -5.277 1.00 2.35 C ATOM 529 CE3 TRP A 36 3.729 8.865 -5.292 1.00 21.24 C ATOM 530 CZ2 TRP A 36 5.971 9.856 -6.678 1.00 30.13 C ATOM 531 CZ3 TRP A 36 3.732 8.914 -6.700 1.00 54.13 C ATOM 532 CH2 TRP A 36 4.847 9.418 -7.391 1.00 43.12 C ATOM 0 H TRP A 36 2.520 8.752 -0.297 1.00 52.10 H new ATOM 0 HA TRP A 36 4.607 10.630 -0.548 1.00 61.34 H new ATOM 0 HB2 TRP A 36 4.804 8.371 -1.316 1.00 70.31 H new ATOM 0 HB3 TRP A 36 3.392 8.520 -2.344 1.00 70.31 H new ATOM 0 HD1 TRP A 36 6.880 10.238 -2.122 1.00 45.20 H new ATOM 0 HE1 TRP A 36 7.784 10.580 -4.510 1.00 5.31 H new ATOM 0 HE3 TRP A 36 2.861 8.482 -4.776 1.00 21.24 H new ATOM 0 HZ2 TRP A 36 6.837 10.232 -7.203 1.00 30.13 H new ATOM 0 HZ3 TRP A 36 2.873 8.562 -7.251 1.00 54.13 H new ATOM 0 HH2 TRP A 36 4.838 9.468 -8.470 1.00 43.12 H new ATOM 542 N ALA A 37 2.168 11.072 -2.767 1.00 4.12 N ATOM 543 CA ALA A 37 1.604 12.030 -3.711 1.00 11.54 C ATOM 544 C ALA A 37 0.994 13.246 -3.007 1.00 1.33 C ATOM 545 O ALA A 37 1.160 14.360 -3.501 1.00 12.24 O ATOM 546 CB ALA A 37 0.583 11.317 -4.594 1.00 34.14 C ATOM 0 H ALA A 37 1.717 10.157 -2.789 1.00 4.12 H new ATOM 0 HA ALA A 37 2.408 12.420 -4.335 1.00 11.54 H new ATOM 0 HB1 ALA A 37 0.156 12.027 -5.303 1.00 34.14 H new ATOM 0 HB2 ALA A 37 1.073 10.510 -5.139 1.00 34.14 H new ATOM 0 HB3 ALA A 37 -0.211 10.904 -3.972 1.00 34.14 H new ATOM 552 N ALA A 38 0.355 13.074 -1.842 1.00 61.31 N ATOM 553 CA ALA A 38 -0.126 14.191 -1.024 1.00 32.33 C ATOM 554 C ALA A 38 0.991 15.207 -0.752 1.00 5.52 C ATOM 555 O ALA A 38 0.764 16.419 -0.813 1.00 65.20 O ATOM 556 CB ALA A 38 -0.687 13.656 0.295 1.00 24.41 C ATOM 0 H ALA A 38 0.158 12.157 -1.442 1.00 61.31 H new ATOM 0 HA ALA A 38 -0.914 14.705 -1.574 1.00 32.33 H new ATOM 0 HB1 ALA A 38 -1.044 14.488 0.902 1.00 24.41 H new ATOM 0 HB2 ALA A 38 -1.513 12.975 0.090 1.00 24.41 H new ATOM 0 HB3 ALA A 38 0.096 13.123 0.834 1.00 24.41 H new ATOM 562 N GLY A 39 2.202 14.713 -0.486 1.00 44.43 N ATOM 563 CA GLY A 39 3.387 15.522 -0.281 1.00 43.40 C ATOM 564 C GLY A 39 3.731 16.375 -1.492 1.00 73.30 C ATOM 565 O GLY A 39 4.029 17.569 -1.356 1.00 25.31 O ATOM 0 H GLY A 39 2.381 13.712 -0.407 1.00 44.43 H new ATOM 0 HA2 GLY A 39 3.235 16.169 0.583 1.00 43.40 H new ATOM 0 HA3 GLY A 39 4.230 14.872 -0.048 1.00 43.40 H new ATOM 569 N LEU A 40 3.680 15.765 -2.673 1.00 62.10 N ATOM 570 CA LEU A 40 4.117 16.356 -3.927 1.00 54.34 C ATOM 571 C LEU A 40 3.157 17.464 -4.321 1.00 65.33 C ATOM 572 O LEU A 40 3.586 18.558 -4.681 1.00 13.32 O ATOM 573 CB LEU A 40 4.177 15.253 -4.992 1.00 62.43 C ATOM 574 CG LEU A 40 5.317 14.258 -4.723 1.00 3.14 C ATOM 575 CD1 LEU A 40 5.128 13.031 -5.616 1.00 31.25 C ATOM 576 CD2 LEU A 40 6.691 14.849 -5.066 1.00 62.34 C ATOM 0 H LEU A 40 3.322 14.816 -2.783 1.00 62.10 H new ATOM 0 HA LEU A 40 5.109 16.795 -3.826 1.00 54.34 H new ATOM 0 HB2 LEU A 40 3.227 14.719 -5.015 1.00 62.43 H new ATOM 0 HB3 LEU A 40 4.313 15.704 -5.975 1.00 62.43 H new ATOM 0 HG LEU A 40 5.285 14.009 -3.662 1.00 3.14 H new ATOM 0 HD11 LEU A 40 5.933 12.319 -5.432 1.00 31.25 H new ATOM 0 HD12 LEU A 40 4.170 12.562 -5.391 1.00 31.25 H new ATOM 0 HD13 LEU A 40 5.146 13.336 -6.662 1.00 31.25 H new ATOM 0 HD21 LEU A 40 7.466 14.111 -4.860 1.00 62.34 H new ATOM 0 HD22 LEU A 40 6.718 15.119 -6.122 1.00 62.34 H new ATOM 0 HD23 LEU A 40 6.866 15.738 -4.460 1.00 62.34 H new ATOM 587 N LEU A 41 1.858 17.208 -4.159 1.00 33.22 N ATOM 588 CA LEU A 41 0.760 18.142 -4.375 1.00 32.42 C ATOM 589 C LEU A 41 0.814 19.341 -3.420 1.00 32.31 C ATOM 590 O LEU A 41 0.011 20.263 -3.566 1.00 41.54 O ATOM 591 CB LEU A 41 -0.553 17.382 -4.173 1.00 65.00 C ATOM 592 CG LEU A 41 -0.789 16.276 -5.216 1.00 14.22 C ATOM 593 CD1 LEU A 41 -1.758 15.259 -4.658 1.00 50.22 C ATOM 594 CD2 LEU A 41 -1.407 16.756 -6.523 1.00 71.31 C ATOM 0 H LEU A 41 1.529 16.291 -3.857 1.00 33.22 H new ATOM 0 HA LEU A 41 0.838 18.540 -5.387 1.00 32.42 H new ATOM 0 HB2 LEU A 41 -0.557 16.938 -3.177 1.00 65.00 H new ATOM 0 HB3 LEU A 41 -1.382 18.089 -4.211 1.00 65.00 H new ATOM 0 HG LEU A 41 0.203 15.875 -5.426 1.00 14.22 H new ATOM 0 HD11 LEU A 41 -1.927 14.474 -5.396 1.00 50.22 H new ATOM 0 HD12 LEU A 41 -1.343 14.821 -3.750 1.00 50.22 H new ATOM 0 HD13 LEU A 41 -2.704 15.748 -4.425 1.00 50.22 H new ATOM 0 HD21 LEU A 41 -1.537 15.909 -7.197 1.00 71.31 H new ATOM 0 HD22 LEU A 41 -2.377 17.211 -6.321 1.00 71.31 H new ATOM 0 HD23 LEU A 41 -0.750 17.492 -6.987 1.00 71.31 H new ATOM 605 N GLY A 42 1.724 19.351 -2.441 1.00 61.21 N ATOM 606 CA GLY A 42 1.882 20.467 -1.524 1.00 54.54 C ATOM 607 C GLY A 42 0.694 20.606 -0.592 1.00 33.13 C ATOM 608 O GLY A 42 0.305 21.729 -0.249 1.00 12.41 O ATOM 0 H GLY A 42 2.370 18.580 -2.268 1.00 61.21 H new ATOM 0 HA2 GLY A 42 2.790 20.329 -0.937 1.00 54.54 H new ATOM 0 HA3 GLY A 42 2.007 21.389 -2.092 1.00 54.54 H new ATOM 612 N LYS A 43 0.091 19.482 -0.208 1.00 71.03 N ATOM 613 CA LYS A 43 -0.989 19.509 0.754 1.00 71.14 C ATOM 614 C LYS A 43 -0.442 19.697 2.162 1.00 23.31 C ATOM 615 O LYS A 43 0.728 19.424 2.443 1.00 52.12 O ATOM 616 CB LYS A 43 -1.829 18.235 0.649 1.00 10.35 C ATOM 617 CG LYS A 43 -2.520 18.068 -0.705 1.00 12.32 C ATOM 618 CD LYS A 43 -3.551 19.176 -1.001 1.00 32.35 C ATOM 619 CE LYS A 43 -3.146 20.023 -2.214 1.00 71.23 C ATOM 620 NZ LYS A 43 -4.188 21.015 -2.562 1.00 43.10 N ATOM 0 H LYS A 43 0.335 18.553 -0.550 1.00 71.03 H new ATOM 0 HA LYS A 43 -1.637 20.357 0.531 1.00 71.14 H new ATOM 0 HB2 LYS A 43 -1.189 17.372 0.830 1.00 10.35 H new ATOM 0 HB3 LYS A 43 -2.584 18.242 1.435 1.00 10.35 H new ATOM 0 HG2 LYS A 43 -1.766 18.062 -1.492 1.00 12.32 H new ATOM 0 HG3 LYS A 43 -3.019 17.099 -0.734 1.00 12.32 H new ATOM 0 HD2 LYS A 43 -4.527 18.725 -1.182 1.00 32.35 H new ATOM 0 HD3 LYS A 43 -3.654 19.819 -0.127 1.00 32.35 H new ATOM 0 HE2 LYS A 43 -2.209 20.538 -2.001 1.00 71.23 H new ATOM 0 HE3 LYS A 43 -2.964 19.371 -3.069 1.00 71.23 H new ATOM 0 HZ1 LYS A 43 -3.879 21.569 -3.386 1.00 43.10 H new ATOM 0 HZ2 LYS A 43 -5.075 20.522 -2.789 1.00 43.10 H new ATOM 0 HZ3 LYS A 43 -4.343 21.653 -1.755 1.00 43.10 H new ATOM 630 N THR A 44 -1.328 20.112 3.052 1.00 3.14 N ATOM 631 CA THR A 44 -1.060 20.307 4.462 1.00 62.01 C ATOM 632 C THR A 44 -2.196 19.695 5.271 1.00 13.24 C ATOM 633 O THR A 44 -3.173 19.201 4.703 1.00 21.14 O ATOM 634 CB THR A 44 -0.843 21.810 4.748 1.00 42.34 C ATOM 635 OG1 THR A 44 -1.680 22.663 3.975 1.00 5.35 O ATOM 636 CG2 THR A 44 0.610 22.212 4.474 1.00 12.12 C ATOM 0 H THR A 44 -2.292 20.330 2.799 1.00 3.14 H new ATOM 0 HA THR A 44 -0.142 19.801 4.761 1.00 62.01 H new ATOM 0 HB THR A 44 -1.098 21.939 5.800 1.00 42.34 H new ATOM 0 HG1 THR A 44 -1.495 23.598 4.204 1.00 5.35 H new ATOM 0 HG21 THR A 44 0.739 23.274 4.682 1.00 12.12 H new ATOM 0 HG22 THR A 44 1.275 21.633 5.115 1.00 12.12 H new ATOM 0 HG23 THR A 44 0.851 22.015 3.429 1.00 12.12 H new ATOM 644 N GLY A 45 -2.040 19.738 6.593 1.00 3.53 N ATOM 645 CA GLY A 45 -3.056 19.698 7.605 1.00 45.54 C ATOM 646 C GLY A 45 -3.791 18.393 7.532 1.00 70.00 C ATOM 647 O GLY A 45 -3.347 17.385 8.095 1.00 62.34 O ATOM 0 H GLY A 45 -1.109 19.808 7.004 1.00 3.53 H new ATOM 0 HA2 GLY A 45 -2.606 19.818 8.591 1.00 45.54 H new ATOM 0 HA3 GLY A 45 -3.751 20.526 7.469 1.00 45.54 H new ATOM 651 N ASP A 46 -4.901 18.430 6.818 1.00 1.22 N ATOM 652 CA ASP A 46 -5.843 17.349 6.701 1.00 51.13 C ATOM 653 C ASP A 46 -6.247 17.077 5.256 1.00 64.03 C ATOM 654 O ASP A 46 -6.668 15.961 4.964 1.00 30.15 O ATOM 655 CB ASP A 46 -7.073 17.613 7.583 1.00 44.11 C ATOM 656 CG ASP A 46 -7.591 19.048 7.457 1.00 4.21 C ATOM 657 OD1 ASP A 46 -8.054 19.440 6.364 1.00 50.33 O ATOM 658 OD2 ASP A 46 -7.428 19.819 8.434 1.00 63.20 O ATOM 0 H ASP A 46 -5.176 19.254 6.283 1.00 1.22 H new ATOM 0 HA ASP A 46 -5.345 16.446 7.055 1.00 51.13 H new ATOM 0 HB2 ASP A 46 -7.867 16.919 7.309 1.00 44.11 H new ATOM 0 HB3 ASP A 46 -6.819 17.413 8.624 1.00 44.11 H new ATOM 662 N ASP A 47 -6.017 18.004 4.324 1.00 64.01 N ATOM 663 CA ASP A 47 -6.156 17.744 2.887 1.00 22.41 C ATOM 664 C ASP A 47 -5.173 16.652 2.459 1.00 45.10 C ATOM 665 O ASP A 47 -5.496 15.789 1.641 1.00 72.03 O ATOM 666 CB ASP A 47 -5.878 19.015 2.071 1.00 52.51 C ATOM 667 CG ASP A 47 -7.149 19.685 1.557 1.00 73.42 C ATOM 668 OD1 ASP A 47 -7.735 19.196 0.564 1.00 30.25 O ATOM 669 OD2 ASP A 47 -7.523 20.751 2.092 1.00 44.43 O ATOM 0 H ASP A 47 -5.729 18.958 4.543 1.00 64.01 H new ATOM 0 HA ASP A 47 -7.179 17.419 2.699 1.00 22.41 H new ATOM 0 HB2 ASP A 47 -5.325 19.723 2.689 1.00 52.51 H new ATOM 0 HB3 ASP A 47 -5.239 18.764 1.225 1.00 52.51 H new ATOM 673 N ALA A 48 -3.966 16.660 3.039 1.00 63.12 N ATOM 674 CA ALA A 48 -2.952 15.659 2.751 1.00 1.44 C ATOM 675 C ALA A 48 -3.422 14.301 3.254 1.00 72.01 C ATOM 676 O ALA A 48 -3.251 13.278 2.586 1.00 11.43 O ATOM 677 CB ALA A 48 -1.646 16.043 3.452 1.00 42.34 C ATOM 0 H ALA A 48 -3.673 17.362 3.718 1.00 63.12 H new ATOM 0 HA ALA A 48 -2.785 15.607 1.675 1.00 1.44 H new ATOM 0 HB1 ALA A 48 -0.884 15.294 3.238 1.00 42.34 H new ATOM 0 HB2 ALA A 48 -1.311 17.015 3.090 1.00 42.34 H new ATOM 0 HB3 ALA A 48 -1.812 16.094 4.528 1.00 42.34 H new ATOM 683 N ARG A 49 -4.039 14.309 4.441 1.00 34.42 N ATOM 684 CA ARG A 49 -4.538 13.093 5.049 1.00 4.51 C ATOM 685 C ARG A 49 -5.643 12.520 4.185 1.00 5.35 C ATOM 686 O ARG A 49 -5.633 11.324 3.913 1.00 21.44 O ATOM 687 CB ARG A 49 -5.064 13.332 6.464 1.00 10.13 C ATOM 688 CG ARG A 49 -3.968 13.675 7.482 1.00 52.22 C ATOM 689 CD ARG A 49 -4.586 13.905 8.867 1.00 4.32 C ATOM 690 NE ARG A 49 -5.420 12.766 9.292 1.00 45.50 N ATOM 691 CZ ARG A 49 -4.999 11.634 9.859 1.00 44.33 C ATOM 692 NH1 ARG A 49 -3.734 11.477 10.232 1.00 61.14 N ATOM 693 NH2 ARG A 49 -5.865 10.647 10.028 1.00 65.24 N ATOM 0 H ARG A 49 -4.200 15.152 4.993 1.00 34.42 H new ATOM 0 HA ARG A 49 -3.708 12.390 5.122 1.00 4.51 H new ATOM 0 HB2 ARG A 49 -5.791 14.144 6.439 1.00 10.13 H new ATOM 0 HB3 ARG A 49 -5.593 12.440 6.800 1.00 10.13 H new ATOM 0 HG2 ARG A 49 -3.240 12.865 7.530 1.00 52.22 H new ATOM 0 HG3 ARG A 49 -3.431 14.568 7.162 1.00 52.22 H new ATOM 0 HD2 ARG A 49 -3.792 14.066 9.597 1.00 4.32 H new ATOM 0 HD3 ARG A 49 -5.191 14.811 8.849 1.00 4.32 H new ATOM 0 HE ARG A 49 -6.424 12.852 9.136 1.00 45.50 H new ATOM 0 HH11 ARG A 49 -3.062 12.231 10.087 1.00 61.14 H new ATOM 0 HH12 ARG A 49 -3.434 10.603 10.664 1.00 61.14 H new ATOM 0 HH21 ARG A 49 -6.833 10.761 9.727 1.00 65.24 H new ATOM 0 HH22 ARG A 49 -5.564 9.773 10.459 1.00 65.24 H new ATOM 704 N ALA A 50 -6.582 13.372 3.771 1.00 74.42 N ATOM 705 CA ALA A 50 -7.706 13.020 2.931 1.00 24.45 C ATOM 706 C ALA A 50 -7.209 12.255 1.711 1.00 2.31 C ATOM 707 O ALA A 50 -7.604 11.105 1.528 1.00 3.51 O ATOM 708 CB ALA A 50 -8.472 14.287 2.550 1.00 50.53 C ATOM 0 H ALA A 50 -6.572 14.360 4.026 1.00 74.42 H new ATOM 0 HA ALA A 50 -8.395 12.368 3.468 1.00 24.45 H new ATOM 0 HB1 ALA A 50 -9.319 14.023 1.917 1.00 50.53 H new ATOM 0 HB2 ALA A 50 -8.833 14.779 3.453 1.00 50.53 H new ATOM 0 HB3 ALA A 50 -7.811 14.963 2.008 1.00 50.53 H new ATOM 714 N TYR A 51 -6.299 12.858 0.938 1.00 65.00 N ATOM 715 CA TYR A 51 -5.706 12.253 -0.249 1.00 13.33 C ATOM 716 C TYR A 51 -5.077 10.888 0.082 1.00 51.41 C ATOM 717 O TYR A 51 -5.274 9.906 -0.639 1.00 31.11 O ATOM 718 CB TYR A 51 -4.688 13.236 -0.849 1.00 13.23 C ATOM 719 CG TYR A 51 -4.139 12.810 -2.198 1.00 54.30 C ATOM 720 CD1 TYR A 51 -3.234 11.739 -2.270 1.00 32.14 C ATOM 721 CD2 TYR A 51 -4.541 13.461 -3.380 1.00 61.31 C ATOM 722 CE1 TYR A 51 -2.797 11.270 -3.514 1.00 14.11 C ATOM 723 CE2 TYR A 51 -4.017 13.066 -4.625 1.00 43.11 C ATOM 724 CZ TYR A 51 -3.173 11.936 -4.699 1.00 22.45 C ATOM 725 OH TYR A 51 -2.742 11.477 -5.906 1.00 10.53 O ATOM 0 H TYR A 51 -5.951 13.798 1.128 1.00 65.00 H new ATOM 0 HA TYR A 51 -6.479 12.058 -0.992 1.00 13.33 H new ATOM 0 HB2 TYR A 51 -5.160 14.213 -0.952 1.00 13.23 H new ATOM 0 HB3 TYR A 51 -3.859 13.355 -0.152 1.00 13.23 H new ATOM 0 HD1 TYR A 51 -2.874 11.276 -1.363 1.00 32.14 H new ATOM 0 HD2 TYR A 51 -5.256 14.269 -3.331 1.00 61.31 H new ATOM 0 HE1 TYR A 51 -2.168 10.393 -3.567 1.00 14.11 H new ATOM 0 HE2 TYR A 51 -4.259 13.623 -5.518 1.00 43.11 H new ATOM 0 HH TYR A 51 -3.174 11.987 -6.623 1.00 10.53 H new ATOM 734 N ALA A 52 -4.317 10.792 1.176 1.00 53.52 N ATOM 735 CA ALA A 52 -3.691 9.540 1.575 1.00 44.54 C ATOM 736 C ALA A 52 -4.693 8.464 2.023 1.00 50.40 C ATOM 737 O ALA A 52 -4.320 7.290 2.063 1.00 31.23 O ATOM 738 CB ALA A 52 -2.667 9.804 2.683 1.00 62.24 C ATOM 0 H ALA A 52 -4.123 11.574 1.801 1.00 53.52 H new ATOM 0 HA ALA A 52 -3.196 9.142 0.689 1.00 44.54 H new ATOM 0 HB1 ALA A 52 -2.201 8.864 2.979 1.00 62.24 H new ATOM 0 HB2 ALA A 52 -1.902 10.489 2.316 1.00 62.24 H new ATOM 0 HB3 ALA A 52 -3.168 10.247 3.544 1.00 62.24 H new ATOM 744 N LEU A 53 -5.924 8.822 2.406 1.00 3.32 N ATOM 745 CA LEU A 53 -6.889 7.923 3.051 1.00 53.50 C ATOM 746 C LEU A 53 -8.021 7.509 2.114 1.00 33.34 C ATOM 747 O LEU A 53 -8.637 6.476 2.356 1.00 73.44 O ATOM 748 CB LEU A 53 -7.444 8.579 4.334 1.00 14.22 C ATOM 749 CG LEU A 53 -6.418 8.521 5.485 1.00 10.41 C ATOM 750 CD1 LEU A 53 -6.646 9.596 6.552 1.00 10.15 C ATOM 751 CD2 LEU A 53 -6.445 7.157 6.191 1.00 43.50 C ATOM 0 H LEU A 53 -6.286 9.766 2.273 1.00 3.32 H new ATOM 0 HA LEU A 53 -6.359 7.008 3.316 1.00 53.50 H new ATOM 0 HB2 LEU A 53 -7.706 9.617 4.130 1.00 14.22 H new ATOM 0 HB3 LEU A 53 -8.361 8.073 4.636 1.00 14.22 H new ATOM 0 HG LEU A 53 -5.453 8.693 5.009 1.00 10.41 H new ATOM 0 HD11 LEU A 53 -5.891 9.500 7.332 1.00 10.15 H new ATOM 0 HD12 LEU A 53 -6.572 10.583 6.096 1.00 10.15 H new ATOM 0 HD13 LEU A 53 -7.637 9.471 6.988 1.00 10.15 H new ATOM 0 HD21 LEU A 53 -5.711 7.150 6.996 1.00 43.50 H new ATOM 0 HD22 LEU A 53 -7.438 6.981 6.604 1.00 43.50 H new ATOM 0 HD23 LEU A 53 -6.205 6.372 5.474 1.00 43.50 H new ATOM 762 N THR A 54 -8.274 8.264 1.048 1.00 10.11 N ATOM 763 CA THR A 54 -9.374 8.022 0.121 1.00 43.41 C ATOM 764 C THR A 54 -9.099 6.846 -0.830 1.00 2.13 C ATOM 765 O THR A 54 -10.044 6.178 -1.245 1.00 10.33 O ATOM 766 CB THR A 54 -9.713 9.336 -0.613 1.00 2.55 C ATOM 767 OG1 THR A 54 -10.747 9.144 -1.551 1.00 70.33 O ATOM 768 CG2 THR A 54 -8.519 9.932 -1.363 1.00 12.13 C ATOM 0 H THR A 54 -7.709 9.076 0.800 1.00 10.11 H new ATOM 0 HA THR A 54 -10.253 7.711 0.686 1.00 43.41 H new ATOM 0 HB THR A 54 -10.020 10.027 0.172 1.00 2.55 H new ATOM 0 HG1 THR A 54 -10.943 9.993 -2.000 1.00 70.33 H new ATOM 0 HG21 THR A 54 -8.824 10.854 -1.858 1.00 12.13 H new ATOM 0 HG22 THR A 54 -7.716 10.147 -0.657 1.00 12.13 H new ATOM 0 HG23 THR A 54 -8.166 9.220 -2.109 1.00 12.13 H new ATOM 776 N VAL A 55 -7.842 6.549 -1.176 1.00 3.43 N ATOM 777 CA VAL A 55 -7.533 5.436 -2.081 1.00 64.41 C ATOM 778 C VAL A 55 -7.679 4.067 -1.385 1.00 50.24 C ATOM 779 O VAL A 55 -7.740 3.015 -2.032 1.00 5.52 O ATOM 780 CB VAL A 55 -6.174 5.696 -2.761 1.00 50.31 C ATOM 781 CG1 VAL A 55 -5.019 5.965 -1.783 1.00 3.44 C ATOM 782 CG2 VAL A 55 -5.815 4.584 -3.753 1.00 54.34 C ATOM 0 H VAL A 55 -7.025 7.061 -0.845 1.00 3.43 H new ATOM 0 HA VAL A 55 -8.270 5.385 -2.883 1.00 64.41 H new ATOM 0 HB VAL A 55 -6.308 6.624 -3.316 1.00 50.31 H new ATOM 0 HG11 VAL A 55 -4.100 6.138 -2.344 1.00 3.44 H new ATOM 0 HG12 VAL A 55 -5.248 6.845 -1.182 1.00 3.44 H new ATOM 0 HG13 VAL A 55 -4.888 5.103 -1.129 1.00 3.44 H new ATOM 0 HG21 VAL A 55 -4.851 4.803 -4.212 1.00 54.34 H new ATOM 0 HG22 VAL A 55 -5.758 3.631 -3.227 1.00 54.34 H new ATOM 0 HG23 VAL A 55 -6.580 4.526 -4.527 1.00 54.34 H new ATOM 792 N VAL A 56 -7.807 4.066 -0.058 1.00 73.14 N ATOM 793 CA VAL A 56 -8.214 2.893 0.697 1.00 70.24 C ATOM 794 C VAL A 56 -9.648 2.560 0.274 1.00 3.22 C ATOM 795 O VAL A 56 -10.428 3.470 -0.009 1.00 22.03 O ATOM 796 CB VAL A 56 -8.093 3.161 2.213 1.00 11.34 C ATOM 797 CG1 VAL A 56 -8.183 1.859 3.017 1.00 32.21 C ATOM 798 CG2 VAL A 56 -6.773 3.842 2.630 1.00 62.42 C ATOM 0 H VAL A 56 -7.629 4.886 0.522 1.00 73.14 H new ATOM 0 HA VAL A 56 -7.568 2.040 0.489 1.00 70.24 H new ATOM 0 HB VAL A 56 -8.923 3.833 2.429 1.00 11.34 H new ATOM 0 HG11 VAL A 56 -8.094 2.081 4.080 1.00 32.21 H new ATOM 0 HG12 VAL A 56 -9.142 1.379 2.825 1.00 32.21 H new ATOM 0 HG13 VAL A 56 -7.376 1.190 2.718 1.00 32.21 H new ATOM 0 HG21 VAL A 56 -6.768 3.995 3.709 1.00 62.42 H new ATOM 0 HG22 VAL A 56 -5.932 3.208 2.349 1.00 62.42 H new ATOM 0 HG23 VAL A 56 -6.686 4.805 2.127 1.00 62.42 H new ATOM 915 N GLU A 66 -4.241 -0.915 -13.156 1.00 53.40 N ATOM 916 CA GLU A 66 -3.456 0.188 -13.706 1.00 45.32 C ATOM 917 C GLU A 66 -4.257 1.505 -13.813 1.00 61.03 C ATOM 918 O GLU A 66 -3.696 2.547 -14.146 1.00 10.51 O ATOM 919 CB GLU A 66 -2.738 -0.238 -15.006 1.00 33.25 C ATOM 920 CG GLU A 66 -2.033 -1.602 -14.850 1.00 25.15 C ATOM 921 CD GLU A 66 -1.149 -1.964 -16.036 1.00 14.51 C ATOM 922 OE1 GLU A 66 -1.683 -2.279 -17.123 1.00 1.24 O ATOM 923 OE2 GLU A 66 0.089 -1.908 -15.890 1.00 61.44 O ATOM 0 HA GLU A 66 -2.667 0.426 -12.993 1.00 45.32 H new ATOM 0 HB2 GLU A 66 -3.461 -0.294 -15.819 1.00 33.25 H new ATOM 0 HB3 GLU A 66 -2.005 0.520 -15.282 1.00 33.25 H new ATOM 0 HG2 GLU A 66 -1.426 -1.588 -13.945 1.00 25.15 H new ATOM 0 HG3 GLU A 66 -2.786 -2.379 -14.717 1.00 25.15 H new ATOM 928 N ASP A 67 -5.528 1.515 -13.395 1.00 33.33 N ATOM 929 CA ASP A 67 -6.457 2.649 -13.449 1.00 62.04 C ATOM 930 C ASP A 67 -5.969 3.780 -12.556 1.00 3.44 C ATOM 931 O ASP A 67 -6.069 4.970 -12.876 1.00 30.42 O ATOM 932 CB ASP A 67 -7.832 2.199 -12.932 1.00 43.13 C ATOM 933 CG ASP A 67 -8.806 1.905 -14.063 1.00 10.44 C ATOM 934 OD1 ASP A 67 -9.240 2.884 -14.720 1.00 32.05 O ATOM 935 OD2 ASP A 67 -9.197 0.733 -14.244 1.00 12.41 O ATOM 0 H ASP A 67 -5.960 0.686 -12.987 1.00 33.33 H new ATOM 0 HA ASP A 67 -6.520 2.995 -14.481 1.00 62.04 H new ATOM 0 HB2 ASP A 67 -7.712 1.307 -12.317 1.00 43.13 H new ATOM 0 HB3 ASP A 67 -8.248 2.975 -12.290 1.00 43.13 H new ATOM 939 N VAL A 68 -5.415 3.366 -11.421 1.00 14.21 N ATOM 940 CA VAL A 68 -4.832 4.183 -10.386 1.00 52.40 C ATOM 941 C VAL A 68 -3.743 5.084 -10.978 1.00 63.40 C ATOM 942 O VAL A 68 -3.687 6.272 -10.666 1.00 13.35 O ATOM 943 CB VAL A 68 -4.358 3.202 -9.292 1.00 21.44 C ATOM 944 CG1 VAL A 68 -3.089 2.429 -9.688 1.00 5.44 C ATOM 945 CG2 VAL A 68 -4.162 3.905 -7.946 1.00 10.12 C ATOM 0 H VAL A 68 -5.363 2.373 -11.193 1.00 14.21 H new ATOM 0 HA VAL A 68 -5.533 4.885 -9.934 1.00 52.40 H new ATOM 0 HB VAL A 68 -5.158 2.469 -9.184 1.00 21.44 H new ATOM 0 HG11 VAL A 68 -2.806 1.756 -8.879 1.00 5.44 H new ATOM 0 HG12 VAL A 68 -3.283 1.850 -10.591 1.00 5.44 H new ATOM 0 HG13 VAL A 68 -2.278 3.133 -9.876 1.00 5.44 H new ATOM 0 HG21 VAL A 68 -3.828 3.181 -7.203 1.00 10.12 H new ATOM 0 HG22 VAL A 68 -3.412 4.689 -8.051 1.00 10.12 H new ATOM 0 HG23 VAL A 68 -5.106 4.346 -7.625 1.00 10.12 H new ATOM 955 N PHE A 69 -2.919 4.567 -11.900 1.00 3.24 N ATOM 956 CA PHE A 69 -1.883 5.341 -12.570 1.00 70.13 C ATOM 957 C PHE A 69 -2.528 6.492 -13.338 1.00 10.55 C ATOM 958 O PHE A 69 -2.098 7.637 -13.227 1.00 10.35 O ATOM 959 CB PHE A 69 -1.075 4.436 -13.511 1.00 24.23 C ATOM 960 CG PHE A 69 -0.161 5.215 -14.421 1.00 14.21 C ATOM 961 CD1 PHE A 69 -0.633 5.663 -15.669 1.00 24.43 C ATOM 962 CD2 PHE A 69 1.132 5.550 -13.989 1.00 4.31 C ATOM 963 CE1 PHE A 69 0.165 6.505 -16.454 1.00 42.50 C ATOM 964 CE2 PHE A 69 1.927 6.392 -14.777 1.00 14.42 C ATOM 965 CZ PHE A 69 1.426 6.899 -15.988 1.00 54.21 C ATOM 0 H PHE A 69 -2.959 3.593 -12.199 1.00 3.24 H new ATOM 0 HA PHE A 69 -1.198 5.755 -11.830 1.00 70.13 H new ATOM 0 HB2 PHE A 69 -0.483 3.738 -12.919 1.00 24.23 H new ATOM 0 HB3 PHE A 69 -1.761 3.841 -14.114 1.00 24.23 H new ATOM 0 HD1 PHE A 69 -1.608 5.358 -16.020 1.00 24.43 H new ATOM 0 HD2 PHE A 69 1.511 5.161 -13.055 1.00 4.31 H new ATOM 0 HE1 PHE A 69 -0.190 6.849 -17.414 1.00 42.50 H new ATOM 0 HE2 PHE A 69 2.924 6.651 -14.454 1.00 14.42 H new ATOM 0 HZ PHE A 69 2.017 7.597 -16.563 1.00 54.21 H new ATOM 974 N ARG A 70 -3.591 6.191 -14.084 1.00 4.45 N ATOM 975 CA ARG A 70 -4.323 7.151 -14.902 1.00 22.35 C ATOM 976 C ARG A 70 -4.887 8.291 -14.038 1.00 54.21 C ATOM 977 O ARG A 70 -5.081 9.400 -14.543 1.00 11.34 O ATOM 978 CB ARG A 70 -5.392 6.347 -15.685 1.00 25.02 C ATOM 979 CG ARG A 70 -5.647 6.805 -17.127 1.00 3.45 C ATOM 980 CD ARG A 70 -6.920 7.634 -17.320 1.00 65.20 C ATOM 981 NE ARG A 70 -6.708 8.975 -16.772 1.00 3.42 N ATOM 982 CZ ARG A 70 -6.564 10.116 -17.444 1.00 61.20 C ATOM 983 NH1 ARG A 70 -7.028 10.265 -18.678 1.00 13.15 N ATOM 984 NH2 ARG A 70 -5.931 11.110 -16.842 1.00 43.20 N ATOM 0 H ARG A 70 -3.975 5.247 -14.136 1.00 4.45 H new ATOM 0 HA ARG A 70 -3.678 7.658 -15.620 1.00 22.35 H new ATOM 0 HB2 ARG A 70 -5.090 5.300 -15.704 1.00 25.02 H new ATOM 0 HB3 ARG A 70 -6.332 6.398 -15.136 1.00 25.02 H new ATOM 0 HG2 ARG A 70 -4.793 7.392 -17.464 1.00 3.45 H new ATOM 0 HG3 ARG A 70 -5.702 5.926 -17.769 1.00 3.45 H new ATOM 0 HD2 ARG A 70 -7.171 7.696 -18.379 1.00 65.20 H new ATOM 0 HD3 ARG A 70 -7.761 7.153 -16.821 1.00 65.20 H new ATOM 0 HE ARG A 70 -6.666 9.044 -15.755 1.00 3.42 H new ATOM 0 HH11 ARG A 70 -7.511 9.493 -19.138 1.00 13.15 H new ATOM 0 HH12 ARG A 70 -6.902 11.151 -19.167 1.00 13.15 H new ATOM 0 HH21 ARG A 70 -5.573 10.987 -15.895 1.00 43.20 H new ATOM 0 HH22 ARG A 70 -5.801 11.999 -17.325 1.00 43.20 H new ATOM 995 N LYS A 71 -5.136 8.050 -12.746 1.00 62.40 N ATOM 996 CA LYS A 71 -5.605 9.060 -11.788 1.00 74.40 C ATOM 997 C LYS A 71 -4.414 9.837 -11.225 1.00 65.13 C ATOM 998 O LYS A 71 -4.409 11.067 -11.289 1.00 21.22 O ATOM 999 CB LYS A 71 -6.462 8.404 -10.677 1.00 30.05 C ATOM 1000 CG LYS A 71 -7.837 9.080 -10.508 1.00 65.13 C ATOM 1001 CD LYS A 71 -7.808 10.503 -9.926 1.00 25.44 C ATOM 1002 CE LYS A 71 -7.791 10.478 -8.397 1.00 24.32 C ATOM 1003 NZ LYS A 71 -7.534 11.816 -7.822 1.00 32.21 N ATOM 0 H LYS A 71 -5.015 7.128 -12.327 1.00 62.40 H new ATOM 0 HA LYS A 71 -6.250 9.774 -12.301 1.00 74.40 H new ATOM 0 HB2 LYS A 71 -6.607 7.349 -10.911 1.00 30.05 H new ATOM 0 HB3 LYS A 71 -5.921 8.450 -9.732 1.00 30.05 H new ATOM 0 HG2 LYS A 71 -8.328 9.114 -11.481 1.00 65.13 H new ATOM 0 HG3 LYS A 71 -8.453 8.454 -9.862 1.00 65.13 H new ATOM 0 HD2 LYS A 71 -6.927 11.030 -10.293 1.00 25.44 H new ATOM 0 HD3 LYS A 71 -8.680 11.058 -10.273 1.00 25.44 H new ATOM 0 HE2 LYS A 71 -8.747 10.104 -8.030 1.00 24.32 H new ATOM 0 HE3 LYS A 71 -7.024 9.783 -8.055 1.00 24.32 H new ATOM 0 HZ1 LYS A 71 -6.968 11.718 -6.955 1.00 32.21 H new ATOM 0 HZ2 LYS A 71 -7.015 12.396 -8.511 1.00 32.21 H new ATOM 0 HZ3 LYS A 71 -8.439 12.276 -7.595 1.00 32.21 H new ATOM 1013 N LEU A 72 -3.383 9.135 -10.741 1.00 3.54 N ATOM 1014 CA LEU A 72 -2.130 9.710 -10.241 1.00 61.00 C ATOM 1015 C LEU A 72 -1.551 10.699 -11.253 1.00 32.02 C ATOM 1016 O LEU A 72 -1.090 11.758 -10.848 1.00 5.11 O ATOM 1017 CB LEU A 72 -1.085 8.594 -10.001 1.00 22.45 C ATOM 1018 CG LEU A 72 -0.896 8.026 -8.585 1.00 11.15 C ATOM 1019 CD1 LEU A 72 -0.097 8.993 -7.719 1.00 25.35 C ATOM 1020 CD2 LEU A 72 -2.184 7.656 -7.859 1.00 50.12 C ATOM 0 H LEU A 72 -3.399 8.117 -10.685 1.00 3.54 H new ATOM 0 HA LEU A 72 -2.350 10.225 -9.306 1.00 61.00 H new ATOM 0 HB2 LEU A 72 -1.341 7.761 -10.656 1.00 22.45 H new ATOM 0 HB3 LEU A 72 -0.119 8.975 -10.332 1.00 22.45 H new ATOM 0 HG LEU A 72 -0.352 7.094 -8.736 1.00 11.15 H new ATOM 0 HD11 LEU A 72 0.025 8.572 -6.721 1.00 25.35 H new ATOM 0 HD12 LEU A 72 0.883 9.157 -8.166 1.00 25.35 H new ATOM 0 HD13 LEU A 72 -0.628 9.943 -7.649 1.00 25.35 H new ATOM 0 HD21 LEU A 72 -1.945 7.265 -6.870 1.00 50.12 H new ATOM 0 HD22 LEU A 72 -2.812 8.541 -7.757 1.00 50.12 H new ATOM 0 HD23 LEU A 72 -2.718 6.896 -8.430 1.00 50.12 H new ATOM 1031 N ALA A 73 -1.545 10.359 -12.543 1.00 21.35 N ATOM 1032 CA ALA A 73 -0.984 11.202 -13.590 1.00 73.12 C ATOM 1033 C ALA A 73 -1.749 12.517 -13.727 1.00 72.44 C ATOM 1034 O ALA A 73 -1.128 13.570 -13.831 1.00 70.34 O ATOM 1035 CB ALA A 73 -0.996 10.439 -14.912 1.00 70.22 C ATOM 0 H ALA A 73 -1.934 9.482 -12.889 1.00 21.35 H new ATOM 0 HA ALA A 73 0.042 11.452 -13.318 1.00 73.12 H new ATOM 0 HB1 ALA A 73 -0.577 11.067 -15.698 1.00 70.22 H new ATOM 0 HB2 ALA A 73 -0.399 9.532 -14.814 1.00 70.22 H new ATOM 0 HB3 ALA A 73 -2.021 10.172 -15.169 1.00 70.22 H new ATOM 1041 N ALA A 74 -3.085 12.464 -13.710 1.00 14.14 N ATOM 1042 CA ALA A 74 -3.905 13.664 -13.841 1.00 4.25 C ATOM 1043 C ALA A 74 -3.732 14.582 -12.631 1.00 12.32 C ATOM 1044 O ALA A 74 -3.728 15.808 -12.764 1.00 22.31 O ATOM 1045 CB ALA A 74 -5.370 13.261 -13.956 1.00 65.30 C ATOM 0 H ALA A 74 -3.618 11.600 -13.607 1.00 14.14 H new ATOM 0 HA ALA A 74 -3.588 14.203 -14.734 1.00 4.25 H new ATOM 0 HB1 ALA A 74 -5.987 14.155 -14.054 1.00 65.30 H new ATOM 0 HB2 ALA A 74 -5.506 12.628 -14.833 1.00 65.30 H new ATOM 0 HB3 ALA A 74 -5.667 12.711 -13.063 1.00 65.30 H new ATOM 1051 N ASP A 75 -3.611 13.980 -11.446 1.00 54.51 N ATOM 1052 CA ASP A 75 -3.352 14.661 -10.184 1.00 41.41 C ATOM 1053 C ASP A 75 -2.017 15.397 -10.294 1.00 45.14 C ATOM 1054 O ASP A 75 -1.940 16.618 -10.115 1.00 71.42 O ATOM 1055 CB ASP A 75 -3.288 13.638 -9.029 1.00 61.04 C ATOM 1056 CG ASP A 75 -4.627 13.098 -8.545 1.00 21.04 C ATOM 1057 OD1 ASP A 75 -5.696 13.444 -9.087 1.00 72.24 O ATOM 1058 OD2 ASP A 75 -4.610 12.279 -7.598 1.00 42.40 O ATOM 0 H ASP A 75 -3.694 12.969 -11.339 1.00 54.51 H new ATOM 0 HA ASP A 75 -4.156 15.368 -9.977 1.00 41.41 H new ATOM 0 HB2 ASP A 75 -2.673 12.797 -9.348 1.00 61.04 H new ATOM 0 HB3 ASP A 75 -2.779 14.103 -8.185 1.00 61.04 H new ATOM 1062 N LEU A 76 -0.962 14.640 -10.595 1.00 23.33 N ATOM 1063 CA LEU A 76 0.439 15.023 -10.491 1.00 25.23 C ATOM 1064 C LEU A 76 0.998 15.570 -11.812 1.00 14.33 C ATOM 1065 O LEU A 76 2.216 15.583 -11.986 1.00 65.21 O ATOM 1066 CB LEU A 76 1.263 13.813 -10.000 1.00 22.23 C ATOM 1067 CG LEU A 76 0.911 13.314 -8.585 1.00 30.42 C ATOM 1068 CD1 LEU A 76 1.577 11.963 -8.315 1.00 62.21 C ATOM 1069 CD2 LEU A 76 1.369 14.286 -7.492 1.00 24.21 C ATOM 0 H LEU A 76 -1.073 13.686 -10.938 1.00 23.33 H new ATOM 0 HA LEU A 76 0.515 15.836 -9.768 1.00 25.23 H new ATOM 0 HB2 LEU A 76 1.127 12.991 -10.703 1.00 22.23 H new ATOM 0 HB3 LEU A 76 2.320 14.080 -10.022 1.00 22.23 H new ATOM 0 HG LEU A 76 -0.175 13.229 -8.553 1.00 30.42 H new ATOM 0 HD11 LEU A 76 1.319 11.624 -7.312 1.00 62.21 H new ATOM 0 HD12 LEU A 76 1.228 11.233 -9.046 1.00 62.21 H new ATOM 0 HD13 LEU A 76 2.659 12.068 -8.395 1.00 62.21 H new ATOM 0 HD21 LEU A 76 1.097 13.888 -6.514 1.00 24.21 H new ATOM 0 HD22 LEU A 76 2.451 14.410 -7.545 1.00 24.21 H new ATOM 0 HD23 LEU A 76 0.885 15.252 -7.638 1.00 24.21 H new ATOM 1080 N GLU A 77 0.153 16.031 -12.732 1.00 72.23 N ATOM 1081 CA GLU A 77 0.581 16.710 -13.947 1.00 52.24 C ATOM 1082 C GLU A 77 1.395 17.944 -13.526 1.00 54.23 C ATOM 1083 O GLU A 77 0.832 18.889 -12.965 1.00 22.34 O ATOM 1084 CB GLU A 77 -0.646 17.084 -14.809 1.00 4.43 C ATOM 1085 CG GLU A 77 -0.249 17.422 -16.259 1.00 71.34 C ATOM 1086 CD GLU A 77 -1.325 18.237 -16.980 1.00 4.43 C ATOM 1087 OE1 GLU A 77 -2.323 17.683 -17.507 1.00 11.14 O ATOM 1088 OE2 GLU A 77 -1.186 19.481 -17.026 1.00 44.53 O ATOM 0 H GLU A 77 -0.860 15.941 -12.651 1.00 72.23 H new ATOM 0 HA GLU A 77 1.206 16.063 -14.563 1.00 52.24 H new ATOM 0 HB2 GLU A 77 -1.355 16.256 -14.810 1.00 4.43 H new ATOM 0 HB3 GLU A 77 -1.155 17.939 -14.364 1.00 4.43 H new ATOM 0 HG2 GLU A 77 0.687 17.981 -16.256 1.00 71.34 H new ATOM 0 HG3 GLU A 77 -0.067 16.498 -16.808 1.00 71.34 H new ATOM 1093 N GLY A 78 2.717 17.923 -13.718 1.00 45.13 N ATOM 1094 CA GLY A 78 3.606 18.981 -13.242 1.00 14.12 C ATOM 1095 C GLY A 78 4.094 18.777 -11.807 1.00 12.45 C ATOM 1096 O GLY A 78 4.503 19.745 -11.163 1.00 22.14 O ATOM 0 H GLY A 78 3.199 17.170 -14.209 1.00 45.13 H new ATOM 0 HA2 GLY A 78 4.469 19.043 -13.904 1.00 14.12 H new ATOM 0 HA3 GLY A 78 3.086 19.937 -13.307 1.00 14.12 H new ATOM 1100 N LYS A 79 4.049 17.550 -11.287 1.00 53.53 N ATOM 1101 CA LYS A 79 4.578 17.147 -9.988 1.00 43.24 C ATOM 1102 C LYS A 79 5.372 15.855 -10.063 1.00 4.23 C ATOM 1103 O LYS A 79 6.292 15.685 -9.260 1.00 71.40 O ATOM 1104 CB LYS A 79 3.425 16.910 -9.007 1.00 74.03 C ATOM 1105 CG LYS A 79 2.534 18.120 -8.760 1.00 62.10 C ATOM 1106 CD LYS A 79 3.333 19.180 -8.014 1.00 10.55 C ATOM 1107 CE LYS A 79 2.432 20.374 -7.746 1.00 13.41 C ATOM 1108 NZ LYS A 79 2.681 21.412 -8.773 1.00 14.55 N ATOM 0 H LYS A 79 3.620 16.772 -11.788 1.00 53.53 H new ATOM 0 HA LYS A 79 5.232 17.953 -9.657 1.00 43.24 H new ATOM 0 HB2 LYS A 79 2.808 16.094 -9.384 1.00 74.03 H new ATOM 0 HB3 LYS A 79 3.840 16.582 -8.054 1.00 74.03 H new ATOM 0 HG2 LYS A 79 2.171 18.519 -9.707 1.00 62.10 H new ATOM 0 HG3 LYS A 79 1.658 17.830 -8.179 1.00 62.10 H new ATOM 0 HD2 LYS A 79 3.713 18.776 -7.076 1.00 10.55 H new ATOM 0 HD3 LYS A 79 4.198 19.485 -8.603 1.00 10.55 H new ATOM 0 HE2 LYS A 79 1.386 20.068 -7.767 1.00 13.41 H new ATOM 0 HE3 LYS A 79 2.626 20.775 -6.751 1.00 13.41 H new ATOM 0 HZ1 LYS A 79 2.067 22.232 -8.594 1.00 14.55 H new ATOM 0 HZ2 LYS A 79 3.677 21.710 -8.731 1.00 14.55 H new ATOM 0 HZ3 LYS A 79 2.475 21.024 -9.716 1.00 14.55 H new ATOM 1118 N ALA A 80 4.960 14.916 -10.912 1.00 64.30 N ATOM 1119 CA ALA A 80 5.518 13.583 -10.958 1.00 41.13 C ATOM 1120 C ALA A 80 5.254 13.029 -12.352 1.00 73.20 C ATOM 1121 O ALA A 80 4.100 12.923 -12.765 1.00 50.42 O ATOM 1122 CB ALA A 80 4.847 12.723 -9.882 1.00 21.41 C ATOM 0 H ALA A 80 4.218 15.071 -11.594 1.00 64.30 H new ATOM 0 HA ALA A 80 6.590 13.586 -10.763 1.00 41.13 H new ATOM 0 HB1 ALA A 80 5.262 11.716 -9.910 1.00 21.41 H new ATOM 0 HB2 ALA A 80 5.027 13.162 -8.901 1.00 21.41 H new ATOM 0 HB3 ALA A 80 3.774 12.678 -10.069 1.00 21.41 H new ATOM 1128 N ASP A 81 6.309 12.683 -13.083 1.00 50.11 N ATOM 1129 CA ASP A 81 6.162 11.975 -14.348 1.00 1.53 C ATOM 1130 C ASP A 81 5.744 10.541 -14.074 1.00 22.15 C ATOM 1131 O ASP A 81 5.882 10.000 -12.971 1.00 50.11 O ATOM 1132 CB ASP A 81 7.485 11.901 -15.115 1.00 50.22 C ATOM 1133 CG ASP A 81 7.797 13.125 -15.960 1.00 72.01 C ATOM 1134 OD1 ASP A 81 7.428 14.265 -15.593 1.00 34.45 O ATOM 1135 OD2 ASP A 81 8.420 12.937 -17.028 1.00 45.30 O ATOM 0 H ASP A 81 7.274 12.882 -12.820 1.00 50.11 H new ATOM 0 HA ASP A 81 5.422 12.519 -14.935 1.00 1.53 H new ATOM 0 HB2 ASP A 81 8.295 11.752 -14.401 1.00 50.22 H new ATOM 0 HB3 ASP A 81 7.466 11.024 -15.762 1.00 50.22 H new ATOM 1139 N GLU A 82 5.399 9.855 -15.152 1.00 41.13 N ATOM 1140 CA GLU A 82 5.254 8.418 -15.161 1.00 12.32 C ATOM 1141 C GLU A 82 6.527 7.728 -14.666 1.00 24.14 C ATOM 1142 O GLU A 82 6.445 6.762 -13.914 1.00 32.32 O ATOM 1143 CB GLU A 82 4.872 7.993 -16.578 1.00 10.52 C ATOM 1144 CG GLU A 82 4.649 6.481 -16.744 1.00 34.42 C ATOM 1145 CD GLU A 82 5.711 5.756 -17.563 1.00 21.41 C ATOM 1146 OE1 GLU A 82 6.314 6.369 -18.479 1.00 50.51 O ATOM 1147 OE2 GLU A 82 5.791 4.519 -17.409 1.00 31.12 O ATOM 0 H GLU A 82 5.211 10.291 -16.054 1.00 41.13 H new ATOM 0 HA GLU A 82 4.467 8.111 -14.472 1.00 12.32 H new ATOM 0 HB2 GLU A 82 3.962 8.517 -16.870 1.00 10.52 H new ATOM 0 HB3 GLU A 82 5.657 8.311 -17.265 1.00 10.52 H new ATOM 0 HG2 GLU A 82 4.602 6.026 -15.755 1.00 34.42 H new ATOM 0 HG3 GLU A 82 3.679 6.322 -17.214 1.00 34.42 H new ATOM 1152 N GLU A 83 7.676 8.325 -14.985 1.00 14.52 N ATOM 1153 CA GLU A 83 9.034 7.974 -14.587 1.00 74.34 C ATOM 1154 C GLU A 83 9.147 7.643 -13.090 1.00 2.25 C ATOM 1155 O GLU A 83 9.944 6.786 -12.707 1.00 52.20 O ATOM 1156 CB GLU A 83 9.876 9.208 -14.938 1.00 4.44 C ATOM 1157 CG GLU A 83 11.390 9.025 -14.962 1.00 10.13 C ATOM 1158 CD GLU A 83 12.035 10.373 -15.308 1.00 65.44 C ATOM 1159 OE1 GLU A 83 11.923 10.808 -16.483 1.00 71.30 O ATOM 1160 OE2 GLU A 83 12.610 11.016 -14.399 1.00 44.21 O ATOM 0 H GLU A 83 7.675 9.147 -15.588 1.00 14.52 H new ATOM 0 HA GLU A 83 9.370 7.073 -15.100 1.00 74.34 H new ATOM 0 HB2 GLU A 83 9.562 9.566 -15.919 1.00 4.44 H new ATOM 0 HB3 GLU A 83 9.640 9.995 -14.221 1.00 4.44 H new ATOM 0 HG2 GLU A 83 11.745 8.672 -13.994 1.00 10.13 H new ATOM 0 HG3 GLU A 83 11.669 8.271 -15.698 1.00 10.13 H new ATOM 1165 N THR A 84 8.319 8.266 -12.249 1.00 2.52 N ATOM 1166 CA THR A 84 8.317 8.082 -10.805 1.00 22.23 C ATOM 1167 C THR A 84 7.006 7.446 -10.344 1.00 52.34 C ATOM 1168 O THR A 84 7.024 6.510 -9.548 1.00 23.23 O ATOM 1169 CB THR A 84 8.651 9.434 -10.161 1.00 5.24 C ATOM 1170 OG1 THR A 84 8.867 9.316 -8.772 1.00 25.45 O ATOM 1171 CG2 THR A 84 7.634 10.543 -10.385 1.00 21.45 C ATOM 0 H THR A 84 7.613 8.930 -12.567 1.00 2.52 H new ATOM 0 HA THR A 84 9.081 7.375 -10.481 1.00 22.23 H new ATOM 0 HB THR A 84 9.563 9.727 -10.681 1.00 5.24 H new ATOM 0 HG1 THR A 84 9.078 10.197 -8.398 1.00 25.45 H new ATOM 0 HG21 THR A 84 7.971 11.452 -9.887 1.00 21.45 H new ATOM 0 HG22 THR A 84 7.531 10.732 -11.454 1.00 21.45 H new ATOM 0 HG23 THR A 84 6.670 10.241 -9.976 1.00 21.45 H new ATOM 1179 N ILE A 85 5.865 7.881 -10.877 1.00 34.34 N ATOM 1180 CA ILE A 85 4.549 7.338 -10.511 1.00 64.44 C ATOM 1181 C ILE A 85 4.534 5.821 -10.685 1.00 11.31 C ATOM 1182 O ILE A 85 4.185 5.101 -9.744 1.00 23.34 O ATOM 1183 CB ILE A 85 3.437 7.945 -11.377 1.00 45.14 C ATOM 1184 CG1 ILE A 85 3.284 9.469 -11.152 1.00 50.52 C ATOM 1185 CG2 ILE A 85 2.065 7.291 -11.082 1.00 31.01 C ATOM 1186 CD1 ILE A 85 2.423 10.166 -12.213 1.00 4.15 C ATOM 0 H ILE A 85 5.823 8.622 -11.577 1.00 34.34 H new ATOM 0 HA ILE A 85 4.368 7.595 -9.467 1.00 64.44 H new ATOM 0 HB ILE A 85 3.735 7.754 -12.408 1.00 45.14 H new ATOM 0 HG12 ILE A 85 2.843 9.640 -10.170 1.00 50.52 H new ATOM 0 HG13 ILE A 85 4.273 9.927 -11.142 1.00 50.52 H new ATOM 0 HG21 ILE A 85 1.302 7.746 -11.713 1.00 31.01 H new ATOM 0 HG22 ILE A 85 2.119 6.222 -11.290 1.00 31.01 H new ATOM 0 HG23 ILE A 85 1.807 7.444 -10.034 1.00 31.01 H new ATOM 0 HD11 ILE A 85 2.361 11.231 -11.989 1.00 4.15 H new ATOM 0 HD12 ILE A 85 2.874 10.027 -13.196 1.00 4.15 H new ATOM 0 HD13 ILE A 85 1.422 9.736 -12.209 1.00 4.15 H new ATOM 1197 N ARG A 86 4.851 5.334 -11.891 1.00 65.02 N ATOM 1198 CA ARG A 86 4.839 3.906 -12.179 1.00 5.32 C ATOM 1199 C ARG A 86 5.809 3.201 -11.253 1.00 24.21 C ATOM 1200 O ARG A 86 5.494 2.108 -10.789 1.00 4.25 O ATOM 1201 CB ARG A 86 5.223 3.657 -13.644 1.00 41.10 C ATOM 1202 CG ARG A 86 4.084 3.052 -14.457 1.00 63.21 C ATOM 1203 CD ARG A 86 3.998 1.526 -14.305 1.00 13.52 C ATOM 1204 NE ARG A 86 3.467 0.929 -15.536 1.00 33.12 N ATOM 1205 CZ ARG A 86 2.642 -0.115 -15.642 1.00 63.01 C ATOM 1206 NH1 ARG A 86 2.286 -0.865 -14.603 1.00 61.02 N ATOM 1207 NH2 ARG A 86 2.146 -0.429 -16.826 1.00 62.41 N ATOM 0 H ARG A 86 5.120 5.917 -12.683 1.00 65.02 H new ATOM 0 HA ARG A 86 3.836 3.512 -12.016 1.00 5.32 H new ATOM 0 HB2 ARG A 86 5.529 4.599 -14.100 1.00 41.10 H new ATOM 0 HB3 ARG A 86 6.084 2.990 -13.681 1.00 41.10 H new ATOM 0 HG2 ARG A 86 3.141 3.499 -14.143 1.00 63.21 H new ATOM 0 HG3 ARG A 86 4.220 3.302 -15.509 1.00 63.21 H new ATOM 0 HD2 ARG A 86 4.985 1.117 -14.089 1.00 13.52 H new ATOM 0 HD3 ARG A 86 3.356 1.272 -13.461 1.00 13.52 H new ATOM 0 HE ARG A 86 3.762 1.362 -16.411 1.00 33.12 H new ATOM 0 HH11 ARG A 86 2.647 -0.652 -13.673 1.00 61.02 H new ATOM 0 HH12 ARG A 86 1.652 -1.653 -14.736 1.00 61.02 H new ATOM 0 HH21 ARG A 86 2.395 0.124 -17.646 1.00 62.41 H new ATOM 0 HH22 ARG A 86 1.515 -1.225 -16.920 1.00 62.41 H new ATOM 1218 N ALA A 87 6.919 3.864 -10.926 1.00 1.23 N ATOM 1219 CA ALA A 87 7.899 3.295 -10.006 1.00 62.20 C ATOM 1220 C ALA A 87 7.212 3.034 -8.673 1.00 54.34 C ATOM 1221 O ALA A 87 7.128 1.897 -8.230 1.00 3.35 O ATOM 1222 CB ALA A 87 9.163 4.155 -9.844 1.00 54.20 C ATOM 0 H ALA A 87 7.159 4.789 -11.283 1.00 1.23 H new ATOM 0 HA ALA A 87 8.261 2.358 -10.429 1.00 62.20 H new ATOM 0 HB1 ALA A 87 9.846 3.670 -9.146 1.00 54.20 H new ATOM 0 HB2 ALA A 87 9.653 4.268 -10.811 1.00 54.20 H new ATOM 0 HB3 ALA A 87 8.888 5.137 -9.459 1.00 54.20 H new ATOM 1228 N LYS A 88 6.652 4.060 -8.037 1.00 71.12 N ATOM 1229 CA LYS A 88 6.030 3.941 -6.716 1.00 14.23 C ATOM 1230 C LYS A 88 4.826 3.007 -6.723 1.00 31.13 C ATOM 1231 O LYS A 88 4.555 2.311 -5.744 1.00 64.01 O ATOM 1232 CB LYS A 88 5.626 5.332 -6.220 1.00 65.14 C ATOM 1233 CG LYS A 88 6.796 6.331 -6.140 1.00 62.23 C ATOM 1234 CD LYS A 88 8.107 5.795 -5.553 1.00 52.14 C ATOM 1235 CE LYS A 88 9.177 6.890 -5.579 1.00 30.32 C ATOM 1236 NZ LYS A 88 10.501 6.374 -5.171 1.00 53.54 N ATOM 0 H LYS A 88 6.616 5.003 -8.424 1.00 71.12 H new ATOM 0 HA LYS A 88 6.762 3.502 -6.038 1.00 14.23 H new ATOM 0 HB2 LYS A 88 4.861 5.736 -6.884 1.00 65.14 H new ATOM 0 HB3 LYS A 88 5.174 5.238 -5.233 1.00 65.14 H new ATOM 0 HG2 LYS A 88 6.998 6.703 -7.144 1.00 62.23 H new ATOM 0 HG3 LYS A 88 6.477 7.185 -5.542 1.00 62.23 H new ATOM 0 HD2 LYS A 88 7.946 5.457 -4.529 1.00 52.14 H new ATOM 0 HD3 LYS A 88 8.445 4.931 -6.125 1.00 52.14 H new ATOM 0 HE2 LYS A 88 9.244 7.309 -6.583 1.00 30.32 H new ATOM 0 HE3 LYS A 88 8.883 7.702 -4.914 1.00 30.32 H new ATOM 0 HZ1 LYS A 88 11.198 7.145 -5.201 1.00 53.54 H new ATOM 0 HZ2 LYS A 88 10.444 5.997 -4.203 1.00 53.54 H new ATOM 0 HZ3 LYS A 88 10.794 5.617 -5.821 1.00 53.54 H new ATOM 1246 N MET A 89 4.065 2.978 -7.807 1.00 65.34 N ATOM 1247 CA MET A 89 3.021 1.986 -8.012 1.00 34.05 C ATOM 1248 C MET A 89 3.621 0.577 -7.837 1.00 24.14 C ATOM 1249 O MET A 89 3.215 -0.135 -6.914 1.00 41.42 O ATOM 1250 CB MET A 89 2.332 2.284 -9.345 1.00 3.44 C ATOM 1251 CG MET A 89 1.512 1.141 -9.942 1.00 1.12 C ATOM 1252 SD MET A 89 0.749 1.638 -11.505 1.00 5.23 S ATOM 1253 CE MET A 89 0.028 0.064 -12.023 1.00 71.40 C ATOM 0 H MET A 89 4.155 3.646 -8.573 1.00 65.34 H new ATOM 0 HA MET A 89 2.227 2.031 -7.266 1.00 34.05 H new ATOM 0 HB2 MET A 89 1.676 3.144 -9.209 1.00 3.44 H new ATOM 0 HB3 MET A 89 3.093 2.576 -10.068 1.00 3.44 H new ATOM 0 HG2 MET A 89 2.154 0.275 -10.106 1.00 1.12 H new ATOM 0 HG3 MET A 89 0.739 0.836 -9.237 1.00 1.12 H new ATOM 0 HE1 MET A 89 -0.132 0.074 -13.101 1.00 71.40 H new ATOM 0 HE2 MET A 89 0.706 -0.749 -11.765 1.00 71.40 H new ATOM 0 HE3 MET A 89 -0.926 -0.084 -11.516 1.00 71.40 H new ATOM 1261 N VAL A 90 4.631 0.205 -8.621 1.00 34.04 N ATOM 1262 CA VAL A 90 5.317 -1.085 -8.549 1.00 70.42 C ATOM 1263 C VAL A 90 5.959 -1.303 -7.162 1.00 42.50 C ATOM 1264 O VAL A 90 5.584 -2.241 -6.447 1.00 33.23 O ATOM 1265 CB VAL A 90 6.349 -1.148 -9.700 1.00 31.02 C ATOM 1266 CG1 VAL A 90 7.160 -2.447 -9.642 1.00 12.34 C ATOM 1267 CG2 VAL A 90 5.695 -1.086 -11.089 1.00 65.43 C ATOM 0 H VAL A 90 5.007 0.813 -9.348 1.00 34.04 H new ATOM 0 HA VAL A 90 4.603 -1.899 -8.671 1.00 70.42 H new ATOM 0 HB VAL A 90 6.989 -0.277 -9.561 1.00 31.02 H new ATOM 0 HG11 VAL A 90 7.878 -2.465 -10.462 1.00 12.34 H new ATOM 0 HG12 VAL A 90 7.693 -2.501 -8.693 1.00 12.34 H new ATOM 0 HG13 VAL A 90 6.487 -3.300 -9.730 1.00 12.34 H new ATOM 0 HG21 VAL A 90 6.467 -1.134 -11.857 1.00 65.43 H new ATOM 0 HG22 VAL A 90 5.012 -1.927 -11.208 1.00 65.43 H new ATOM 0 HG23 VAL A 90 5.141 -0.152 -11.189 1.00 65.43 H new ATOM 1277 N GLU A 91 6.894 -0.429 -6.776 1.00 34.01 N ATOM 1278 CA GLU A 91 7.879 -0.484 -5.680 1.00 53.21 C ATOM 1279 C GLU A 91 7.248 -0.426 -4.274 1.00 64.20 C ATOM 1280 O GLU A 91 7.926 -0.232 -3.258 1.00 53.22 O ATOM 1281 CB GLU A 91 8.868 0.687 -5.860 1.00 72.01 C ATOM 1282 CG GLU A 91 9.744 0.593 -7.120 1.00 74.14 C ATOM 1283 CD GLU A 91 10.976 -0.284 -6.906 1.00 3.11 C ATOM 1284 OE1 GLU A 91 11.980 0.224 -6.361 1.00 23.41 O ATOM 1285 OE2 GLU A 91 10.973 -1.470 -7.314 1.00 34.13 O ATOM 0 H GLU A 91 6.994 0.447 -7.288 1.00 34.01 H new ATOM 0 HA GLU A 91 8.384 -1.448 -5.740 1.00 53.21 H new ATOM 0 HB2 GLU A 91 8.305 1.620 -5.893 1.00 72.01 H new ATOM 0 HB3 GLU A 91 9.516 0.737 -4.985 1.00 72.01 H new ATOM 0 HG2 GLU A 91 9.152 0.190 -7.942 1.00 74.14 H new ATOM 0 HG3 GLU A 91 10.060 1.593 -7.415 1.00 74.14 H new ATOM 1290 N LEU A 92 5.926 -0.570 -4.193 1.00 62.40 N ATOM 1291 CA LEU A 92 5.150 -0.612 -2.960 1.00 50.44 C ATOM 1292 C LEU A 92 4.331 -1.899 -2.882 1.00 22.01 C ATOM 1293 O LEU A 92 4.074 -2.427 -1.805 1.00 1.54 O ATOM 1294 CB LEU A 92 4.241 0.623 -2.887 1.00 52.10 C ATOM 1295 CG LEU A 92 5.012 1.948 -2.679 1.00 4.23 C ATOM 1296 CD1 LEU A 92 4.020 3.116 -2.681 1.00 12.52 C ATOM 1297 CD2 LEU A 92 5.783 1.964 -1.362 1.00 62.24 C ATOM 0 H LEU A 92 5.343 -0.665 -5.024 1.00 62.40 H new ATOM 0 HA LEU A 92 5.829 -0.601 -2.108 1.00 50.44 H new ATOM 0 HB2 LEU A 92 3.660 0.691 -3.807 1.00 52.10 H new ATOM 0 HB3 LEU A 92 3.531 0.493 -2.070 1.00 52.10 H new ATOM 0 HG LEU A 92 5.730 2.042 -3.494 1.00 4.23 H new ATOM 0 HD11 LEU A 92 4.559 4.052 -2.535 1.00 12.52 H new ATOM 0 HD12 LEU A 92 3.495 3.145 -3.636 1.00 12.52 H new ATOM 0 HD13 LEU A 92 3.299 2.983 -1.874 1.00 12.52 H new ATOM 0 HD21 LEU A 92 6.309 2.913 -1.260 1.00 62.24 H new ATOM 0 HD22 LEU A 92 5.087 1.843 -0.532 1.00 62.24 H new ATOM 0 HD23 LEU A 92 6.505 1.147 -1.353 1.00 62.24 H new ATOM 1308 N ARG A 93 3.921 -2.466 -4.015 1.00 44.13 N ATOM 1309 CA ARG A 93 3.124 -3.689 -4.037 1.00 61.24 C ATOM 1310 C ARG A 93 3.953 -4.877 -3.554 1.00 61.23 C ATOM 1311 O ARG A 93 3.495 -5.610 -2.670 1.00 44.22 O ATOM 1312 CB ARG A 93 2.535 -3.873 -5.450 1.00 45.34 C ATOM 1313 CG ARG A 93 1.065 -3.440 -5.611 1.00 3.24 C ATOM 1314 CD ARG A 93 0.566 -2.207 -4.844 1.00 30.14 C ATOM 1315 NE ARG A 93 1.157 -0.926 -5.228 1.00 30.41 N ATOM 1316 CZ ARG A 93 0.706 0.264 -4.819 1.00 1.34 C ATOM 1317 NH1 ARG A 93 -0.481 0.394 -4.230 1.00 45.11 N ATOM 1318 NH2 ARG A 93 1.484 1.328 -4.964 1.00 61.30 N ATOM 0 H ARG A 93 4.131 -2.091 -4.940 1.00 44.13 H new ATOM 0 HA ARG A 93 2.286 -3.618 -3.343 1.00 61.24 H new ATOM 0 HB2 ARG A 93 3.143 -3.307 -6.156 1.00 45.34 H new ATOM 0 HB3 ARG A 93 2.620 -4.924 -5.727 1.00 45.34 H new ATOM 0 HG2 ARG A 93 0.888 -3.262 -6.672 1.00 3.24 H new ATOM 0 HG3 ARG A 93 0.439 -4.284 -5.321 1.00 3.24 H new ATOM 0 HD2 ARG A 93 -0.514 -2.138 -4.972 1.00 30.14 H new ATOM 0 HD3 ARG A 93 0.752 -2.366 -3.782 1.00 30.14 H new ATOM 0 HE ARG A 93 1.966 -0.941 -5.849 1.00 30.41 H new ATOM 0 HH11 ARG A 93 -1.069 -0.426 -4.082 1.00 45.11 H new ATOM 0 HH12 ARG A 93 -0.802 1.314 -3.927 1.00 45.11 H new ATOM 0 HH21 ARG A 93 2.409 1.230 -5.382 1.00 61.30 H new ATOM 0 HH22 ARG A 93 1.157 2.244 -4.658 1.00 61.30 H new ATOM 1329 N ALA A 94 5.171 -5.042 -4.081 1.00 22.22 N ATOM 1330 CA ALA A 94 6.080 -6.090 -3.618 1.00 14.41 C ATOM 1331 C ALA A 94 6.705 -5.742 -2.254 1.00 23.44 C ATOM 1332 O ALA A 94 6.986 -6.644 -1.468 1.00 63.42 O ATOM 1333 CB ALA A 94 7.152 -6.352 -4.682 1.00 24.23 C ATOM 0 H ALA A 94 5.548 -4.461 -4.830 1.00 22.22 H new ATOM 0 HA ALA A 94 5.507 -7.005 -3.470 1.00 14.41 H new ATOM 0 HB1 ALA A 94 7.827 -7.133 -4.333 1.00 24.23 H new ATOM 0 HB2 ALA A 94 6.675 -6.672 -5.608 1.00 24.23 H new ATOM 0 HB3 ALA A 94 7.717 -5.438 -4.862 1.00 24.23 H new ATOM 1339 N THR A 95 6.882 -4.455 -1.948 1.00 5.13 N ATOM 1340 CA THR A 95 7.467 -3.976 -0.694 1.00 63.14 C ATOM 1341 C THR A 95 6.554 -4.362 0.433 1.00 73.23 C ATOM 1342 O THR A 95 7.008 -5.053 1.334 1.00 51.54 O ATOM 1343 CB THR A 95 7.675 -2.455 -0.658 1.00 33.25 C ATOM 1344 OG1 THR A 95 8.686 -2.156 -1.591 1.00 12.45 O ATOM 1345 CG2 THR A 95 8.055 -1.921 0.742 1.00 74.02 C ATOM 0 H THR A 95 6.616 -3.700 -2.580 1.00 5.13 H new ATOM 0 HA THR A 95 8.452 -4.434 -0.601 1.00 63.14 H new ATOM 0 HB THR A 95 6.734 -1.964 -0.907 1.00 33.25 H new ATOM 0 HG1 THR A 95 8.377 -1.446 -2.192 1.00 12.45 H new ATOM 0 HG21 THR A 95 8.187 -0.840 0.696 1.00 74.02 H new ATOM 0 HG22 THR A 95 7.261 -2.160 1.450 1.00 74.02 H new ATOM 0 HG23 THR A 95 8.985 -2.386 1.069 1.00 74.02 H new ATOM 1353 N ALA A 96 5.287 -3.923 0.418 1.00 41.44 N ATOM 1354 CA ALA A 96 4.467 -4.057 1.605 1.00 54.40 C ATOM 1355 C ALA A 96 4.406 -5.533 2.041 1.00 33.22 C ATOM 1356 O ALA A 96 4.357 -5.850 3.221 1.00 10.54 O ATOM 1357 CB ALA A 96 3.035 -3.578 1.342 1.00 3.53 C ATOM 0 H ALA A 96 4.829 -3.487 -0.382 1.00 41.44 H new ATOM 0 HA ALA A 96 4.918 -3.446 2.387 1.00 54.40 H new ATOM 0 HB1 ALA A 96 2.442 -3.690 2.249 1.00 3.53 H new ATOM 0 HB2 ALA A 96 3.051 -2.529 1.046 1.00 3.53 H new ATOM 0 HB3 ALA A 96 2.593 -4.174 0.544 1.00 3.53 H new ATOM 1363 N ARG A 97 4.444 -6.457 1.080 1.00 62.42 N ATOM 1364 CA ARG A 97 4.479 -7.892 1.322 1.00 41.33 C ATOM 1365 C ARG A 97 5.700 -8.364 2.108 1.00 22.45 C ATOM 1366 O ARG A 97 5.594 -9.311 2.888 1.00 41.34 O ATOM 1367 CB ARG A 97 4.439 -8.596 -0.042 1.00 41.33 C ATOM 1368 CG ARG A 97 3.010 -8.833 -0.548 1.00 32.22 C ATOM 1369 CD ARG A 97 2.885 -10.202 -1.224 1.00 65.34 C ATOM 1370 NE ARG A 97 3.668 -10.299 -2.461 1.00 31.42 N ATOM 1371 CZ ARG A 97 4.276 -11.396 -2.920 1.00 21.22 C ATOM 1372 NH1 ARG A 97 4.393 -12.505 -2.200 1.00 4.33 N ATOM 1373 NH2 ARG A 97 4.726 -11.375 -4.164 1.00 13.33 N ATOM 0 H ARG A 97 4.451 -6.218 0.088 1.00 62.42 H new ATOM 0 HA ARG A 97 3.618 -8.143 1.942 1.00 41.33 H new ATOM 0 HB2 ARG A 97 4.983 -7.996 -0.771 1.00 41.33 H new ATOM 0 HB3 ARG A 97 4.956 -9.553 0.033 1.00 41.33 H new ATOM 0 HG2 ARG A 97 2.311 -8.770 0.286 1.00 32.22 H new ATOM 0 HG3 ARG A 97 2.736 -8.049 -1.254 1.00 32.22 H new ATOM 0 HD2 ARG A 97 3.213 -10.976 -0.530 1.00 65.34 H new ATOM 0 HD3 ARG A 97 1.836 -10.398 -1.447 1.00 65.34 H new ATOM 0 HE ARG A 97 3.756 -9.451 -3.022 1.00 31.42 H new ATOM 0 HH11 ARG A 97 4.010 -12.543 -1.255 1.00 4.33 H new ATOM 0 HH12 ARG A 97 4.866 -13.320 -2.591 1.00 4.33 H new ATOM 0 HH21 ARG A 97 4.603 -10.540 -4.737 1.00 13.33 H new ATOM 0 HH22 ARG A 97 5.196 -12.194 -4.550 1.00 13.33 H new ATOM 1384 N GLU A 98 6.851 -7.734 1.932 1.00 25.24 N ATOM 1385 CA GLU A 98 8.029 -7.932 2.755 1.00 4.14 C ATOM 1386 C GLU A 98 7.985 -7.036 4.001 1.00 34.34 C ATOM 1387 O GLU A 98 8.631 -7.390 4.990 1.00 11.23 O ATOM 1388 CB GLU A 98 9.263 -7.631 1.896 1.00 61.12 C ATOM 1389 CG GLU A 98 9.656 -8.844 1.037 1.00 54.31 C ATOM 1390 CD GLU A 98 10.457 -9.907 1.798 1.00 41.31 C ATOM 1391 OE1 GLU A 98 11.318 -9.548 2.641 1.00 51.52 O ATOM 1392 OE2 GLU A 98 10.289 -11.105 1.483 1.00 72.02 O ATOM 0 H GLU A 98 6.993 -7.050 1.189 1.00 25.24 H new ATOM 0 HA GLU A 98 8.069 -8.962 3.110 1.00 4.14 H new ATOM 0 HB2 GLU A 98 9.060 -6.776 1.251 1.00 61.12 H new ATOM 0 HB3 GLU A 98 10.098 -7.353 2.540 1.00 61.12 H new ATOM 0 HG2 GLU A 98 8.752 -9.302 0.636 1.00 54.31 H new ATOM 0 HG3 GLU A 98 10.244 -8.500 0.186 1.00 54.31 H new ATOM 1397 N GLN A 99 7.195 -5.951 4.013 1.00 5.52 N ATOM 1398 CA GLN A 99 7.330 -4.905 5.006 1.00 61.34 C ATOM 1399 C GLN A 99 6.557 -5.260 6.281 1.00 74.00 C ATOM 1400 O GLN A 99 7.021 -4.953 7.367 1.00 52.34 O ATOM 1401 CB GLN A 99 6.916 -3.543 4.422 1.00 42.23 C ATOM 1402 CG GLN A 99 5.509 -3.060 4.710 1.00 51.34 C ATOM 1403 CD GLN A 99 5.192 -1.677 4.141 1.00 24.12 C ATOM 1404 OE1 GLN A 99 4.220 -1.500 3.406 1.00 73.03 O ATOM 1405 NE2 GLN A 99 6.013 -0.673 4.405 1.00 31.34 N ATOM 0 H GLN A 99 6.452 -5.786 3.333 1.00 5.52 H new ATOM 0 HA GLN A 99 8.380 -4.822 5.288 1.00 61.34 H new ATOM 0 HB2 GLN A 99 7.613 -2.791 4.793 1.00 42.23 H new ATOM 0 HB3 GLN A 99 7.042 -3.588 3.340 1.00 42.23 H new ATOM 0 HG2 GLN A 99 4.799 -3.780 4.302 1.00 51.34 H new ATOM 0 HG3 GLN A 99 5.358 -3.040 5.789 1.00 51.34 H new ATOM 0 HE21 GLN A 99 6.818 -0.819 5.014 1.00 31.34 H new ATOM 0 HE22 GLN A 99 5.840 0.247 4.000 1.00 31.34 H new ATOM 1412 N ILE A 100 5.378 -5.879 6.162 1.00 52.11 N ATOM 1413 CA ILE A 100 4.473 -6.183 7.289 1.00 45.23 C ATOM 1414 C ILE A 100 5.201 -6.824 8.482 1.00 12.15 C ATOM 1415 O ILE A 100 4.972 -6.399 9.611 1.00 73.31 O ATOM 1416 CB ILE A 100 3.298 -7.073 6.830 1.00 74.03 C ATOM 1417 CG1 ILE A 100 2.313 -6.387 5.846 1.00 34.42 C ATOM 1418 CG2 ILE A 100 2.447 -7.636 7.985 1.00 14.53 C ATOM 1419 CD1 ILE A 100 1.676 -5.074 6.315 1.00 1.42 C ATOM 0 H ILE A 100 5.013 -6.192 5.262 1.00 52.11 H new ATOM 0 HA ILE A 100 4.078 -5.227 7.634 1.00 45.23 H new ATOM 0 HB ILE A 100 3.824 -7.880 6.320 1.00 74.03 H new ATOM 0 HG12 ILE A 100 2.843 -6.194 4.913 1.00 34.42 H new ATOM 0 HG13 ILE A 100 1.513 -7.091 5.619 1.00 34.42 H new ATOM 0 HG21 ILE A 100 1.643 -8.250 7.579 1.00 14.53 H new ATOM 0 HG22 ILE A 100 3.075 -8.244 8.636 1.00 14.53 H new ATOM 0 HG23 ILE A 100 2.021 -6.812 8.558 1.00 14.53 H new ATOM 0 HD11 ILE A 100 1.010 -4.696 5.540 1.00 1.42 H new ATOM 0 HD12 ILE A 100 1.107 -5.251 7.228 1.00 1.42 H new ATOM 0 HD13 ILE A 100 2.458 -4.340 6.511 1.00 1.42 H new ATOM 1430 N ILE A 101 6.045 -7.842 8.286 1.00 1.23 N ATOM 1431 CA ILE A 101 6.726 -8.544 9.380 1.00 22.02 C ATOM 1432 C ILE A 101 7.712 -7.615 10.102 1.00 62.42 C ATOM 1433 O ILE A 101 8.037 -7.808 11.272 1.00 12.53 O ATOM 1434 CB ILE A 101 7.418 -9.811 8.851 1.00 53.44 C ATOM 1435 CG1 ILE A 101 6.474 -10.723 8.050 1.00 41.41 C ATOM 1436 CG2 ILE A 101 8.002 -10.653 9.990 1.00 11.43 C ATOM 1437 CD1 ILE A 101 5.105 -11.015 8.666 1.00 10.25 C ATOM 0 H ILE A 101 6.276 -8.204 7.361 1.00 1.23 H new ATOM 0 HA ILE A 101 5.981 -8.852 10.114 1.00 22.02 H new ATOM 0 HB ILE A 101 8.207 -9.443 8.196 1.00 53.44 H new ATOM 0 HG12 ILE A 101 6.316 -10.271 7.071 1.00 41.41 H new ATOM 0 HG13 ILE A 101 6.981 -11.674 7.884 1.00 41.41 H new ATOM 0 HG21 ILE A 101 8.483 -11.540 9.577 1.00 11.43 H new ATOM 0 HG22 ILE A 101 8.737 -10.064 10.538 1.00 11.43 H new ATOM 0 HG23 ILE A 101 7.202 -10.955 10.666 1.00 11.43 H new ATOM 0 HD11 ILE A 101 4.539 -11.668 8.002 1.00 10.25 H new ATOM 0 HD12 ILE A 101 5.237 -11.505 9.631 1.00 10.25 H new ATOM 0 HD13 ILE A 101 4.562 -10.080 8.805 1.00 10.25 H new ATOM 1448 N SER A 102 8.189 -6.592 9.406 1.00 24.31 N ATOM 1449 CA SER A 102 9.001 -5.517 9.985 1.00 4.42 C ATOM 1450 C SER A 102 8.155 -4.537 10.828 1.00 14.45 C ATOM 1451 O SER A 102 8.714 -3.713 11.554 1.00 10.14 O ATOM 1452 CB SER A 102 9.810 -4.865 8.851 1.00 63.32 C ATOM 1453 OG SER A 102 10.305 -3.559 9.107 1.00 22.15 O ATOM 0 H SER A 102 8.023 -6.479 8.406 1.00 24.31 H new ATOM 0 HA SER A 102 9.711 -5.918 10.709 1.00 4.42 H new ATOM 0 HB2 SER A 102 10.655 -5.512 8.617 1.00 63.32 H new ATOM 0 HB3 SER A 102 9.182 -4.825 7.961 1.00 63.32 H new ATOM 0 HG SER A 102 10.804 -3.239 8.326 1.00 22.15 H new ATOM 1458 N GLU A 103 6.826 -4.621 10.811 1.00 31.02 N ATOM 1459 CA GLU A 103 5.915 -3.791 11.608 1.00 54.43 C ATOM 1460 C GLU A 103 5.426 -4.540 12.853 1.00 21.21 C ATOM 1461 O GLU A 103 4.817 -3.937 13.746 1.00 65.44 O ATOM 1462 CB GLU A 103 4.690 -3.379 10.776 1.00 43.12 C ATOM 1463 CG GLU A 103 5.030 -2.997 9.333 1.00 51.51 C ATOM 1464 CD GLU A 103 3.807 -2.608 8.509 1.00 2.11 C ATOM 1465 OE1 GLU A 103 2.708 -3.180 8.707 1.00 33.12 O ATOM 1466 OE2 GLU A 103 3.926 -1.714 7.641 1.00 63.14 O ATOM 0 H GLU A 103 6.333 -5.292 10.222 1.00 31.02 H new ATOM 0 HA GLU A 103 6.473 -2.906 11.914 1.00 54.43 H new ATOM 0 HB2 GLU A 103 3.974 -4.201 10.766 1.00 43.12 H new ATOM 0 HB3 GLU A 103 4.199 -2.535 11.261 1.00 43.12 H new ATOM 0 HG2 GLU A 103 5.734 -2.165 9.341 1.00 51.51 H new ATOM 0 HG3 GLU A 103 5.533 -3.836 8.851 1.00 51.51 H new ATOM 1471 N ILE A 104 5.633 -5.857 12.873 1.00 24.04 N ATOM 1472 CA ILE A 104 5.349 -6.733 14.003 1.00 14.35 C ATOM 1473 C ILE A 104 6.264 -6.318 15.139 1.00 73.22 C ATOM 1474 O ILE A 104 5.748 -6.210 16.273 1.00 64.32 O ATOM 1475 CB ILE A 104 5.494 -8.214 13.572 1.00 11.42 C ATOM 1476 CG1 ILE A 104 4.453 -8.478 12.462 1.00 45.21 C ATOM 1477 CG2 ILE A 104 5.321 -9.229 14.717 1.00 42.14 C ATOM 1478 CD1 ILE A 104 4.352 -9.927 11.996 1.00 30.22 C ATOM 0 H ILE A 104 6.017 -6.358 12.072 1.00 24.04 H new ATOM 0 HA ILE A 104 4.321 -6.639 14.354 1.00 14.35 H new ATOM 0 HB ILE A 104 6.515 -8.360 13.220 1.00 11.42 H new ATOM 0 HG12 ILE A 104 3.474 -8.160 12.821 1.00 45.21 H new ATOM 0 HG13 ILE A 104 4.696 -7.853 11.603 1.00 45.21 H new ATOM 0 HG21 ILE A 104 5.438 -10.240 14.328 1.00 42.14 H new ATOM 0 HG22 ILE A 104 6.075 -9.046 15.483 1.00 42.14 H new ATOM 0 HG23 ILE A 104 4.328 -9.121 15.152 1.00 42.14 H new ATOM 0 HD11 ILE A 104 3.594 -10.007 11.216 1.00 30.22 H new ATOM 0 HD12 ILE A 104 5.315 -10.250 11.600 1.00 30.22 H new ATOM 0 HD13 ILE A 104 4.074 -10.561 12.838 1.00 30.22 H new