USER MOD reduce.3.24.130724 H: found=0, std=0, add=537, rem=0, adj=6 USER MOD reduce.3.24.130724 removed 537 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 18 THR OG1 : rot 180:sc= 0.228 USER MOD Set 1.2: A 65 THR OG1 : rot -73:sc= 0.241 USER MOD Single : A 28 HIS : no HD1:sc= -4.37 K(o=-4.4,f=-5.5!) USER MOD Single : A 30 TYR OH : rot 180:sc= 0 USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 MET CE :methyl -157:sc= -0.664 (180deg=-2.26!) USER MOD Single : A 43 MET CE :methyl -173:sc= -0.372 (180deg=-0.578) USER MOD Single : A 49 ASN : amide:sc= -0.0126 K(o=-0.013,f=-0.63) USER MOD Single : A 51 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 58 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 59 SER OG : rot 180:sc= 0 USER MOD Single : A 70 ASN : amide:sc= -0.958 K(o=-0.96,f=-3!) USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 83 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 176 N VAL A 15 0.223 -17.713 15.382 1.00 0.00 N ATOM 177 CA VAL A 15 0.291 -16.295 15.714 1.00 0.00 C ATOM 178 C VAL A 15 0.690 -15.465 14.500 1.00 0.00 C ATOM 179 O VAL A 15 1.581 -15.830 13.732 1.00 0.00 O ATOM 180 CB VAL A 15 1.295 -16.033 16.853 1.00 0.00 C ATOM 181 CG1 VAL A 15 2.688 -16.493 16.453 1.00 0.00 C ATOM 182 CG2 VAL A 15 1.299 -14.560 17.231 1.00 0.00 C ATOM 0 HA VAL A 15 -0.705 -15.999 16.042 1.00 0.00 H new ATOM 0 HB VAL A 15 0.986 -16.608 17.726 1.00 0.00 H new ATOM 0 HG11 VAL A 15 3.383 -16.300 17.270 1.00 0.00 H new ATOM 0 HG12 VAL A 15 2.670 -17.561 16.236 1.00 0.00 H new ATOM 0 HG13 VAL A 15 3.010 -15.948 15.566 1.00 0.00 H new ATOM 0 HG21 VAL A 15 2.014 -14.393 18.037 1.00 0.00 H new ATOM 0 HG22 VAL A 15 1.583 -13.963 16.365 1.00 0.00 H new ATOM 0 HG23 VAL A 15 0.303 -14.267 17.563 1.00 0.00 H new ATOM 192 N PRO A 16 0.017 -14.319 14.319 1.00 0.00 N ATOM 193 CA PRO A 16 0.284 -13.412 13.199 1.00 0.00 C ATOM 194 C PRO A 16 1.633 -12.712 13.329 1.00 0.00 C ATOM 195 O PRO A 16 2.345 -12.893 14.317 1.00 0.00 O ATOM 196 CB PRO A 16 -0.857 -12.394 13.287 1.00 0.00 C ATOM 197 CG PRO A 16 -1.269 -12.410 14.719 1.00 0.00 C ATOM 198 CD PRO A 16 -1.057 -13.821 15.194 1.00 0.00 C ATOM 0 HA PRO A 16 0.329 -13.942 12.247 1.00 0.00 H new ATOM 0 HB2 PRO A 16 -0.526 -11.401 12.981 1.00 0.00 H new ATOM 0 HB3 PRO A 16 -1.685 -12.670 12.634 1.00 0.00 H new ATOM 0 HG2 PRO A 16 -0.675 -11.708 15.304 1.00 0.00 H new ATOM 0 HG3 PRO A 16 -2.312 -12.114 14.828 1.00 0.00 H new ATOM 0 HD2 PRO A 16 -0.766 -13.852 16.244 1.00 0.00 H new ATOM 0 HD3 PRO A 16 -1.964 -14.418 15.097 1.00 0.00 H new ATOM 206 N VAL A 17 1.979 -11.911 12.325 1.00 0.00 N ATOM 207 CA VAL A 17 3.242 -11.184 12.329 1.00 0.00 C ATOM 208 C VAL A 17 3.105 -9.843 11.615 1.00 0.00 C ATOM 209 O VAL A 17 2.305 -9.698 10.691 1.00 0.00 O ATOM 210 CB VAL A 17 4.362 -12.000 11.655 1.00 0.00 C ATOM 211 CG1 VAL A 17 4.830 -13.120 12.571 1.00 0.00 C ATOM 212 CG2 VAL A 17 3.887 -12.553 10.320 1.00 0.00 C ATOM 0 H VAL A 17 1.402 -11.750 11.499 1.00 0.00 H new ATOM 0 HA VAL A 17 3.506 -11.012 13.373 1.00 0.00 H new ATOM 0 HB VAL A 17 5.209 -11.340 11.467 1.00 0.00 H new ATOM 0 HG11 VAL A 17 5.621 -13.686 12.079 1.00 0.00 H new ATOM 0 HG12 VAL A 17 5.211 -12.695 13.500 1.00 0.00 H new ATOM 0 HG13 VAL A 17 3.993 -13.783 12.792 1.00 0.00 H new ATOM 0 HG21 VAL A 17 4.690 -13.127 9.857 1.00 0.00 H new ATOM 0 HG22 VAL A 17 3.025 -13.200 10.480 1.00 0.00 H new ATOM 0 HG23 VAL A 17 3.605 -11.729 9.664 1.00 0.00 H new ATOM 222 N THR A 18 3.892 -8.864 12.051 1.00 0.00 N ATOM 223 CA THR A 18 3.859 -7.535 11.455 1.00 0.00 C ATOM 224 C THR A 18 4.912 -7.396 10.361 1.00 0.00 C ATOM 225 O THR A 18 6.062 -7.797 10.539 1.00 0.00 O ATOM 226 CB THR A 18 4.088 -6.438 12.513 1.00 0.00 C ATOM 227 OG1 THR A 18 3.054 -6.489 13.502 1.00 0.00 O ATOM 228 CG2 THR A 18 4.115 -5.061 11.868 1.00 0.00 C ATOM 0 H THR A 18 4.560 -8.967 12.815 1.00 0.00 H new ATOM 0 HA THR A 18 2.867 -7.409 11.020 1.00 0.00 H new ATOM 0 HB THR A 18 5.053 -6.617 12.988 1.00 0.00 H new ATOM 0 HG1 THR A 18 3.207 -5.790 14.172 1.00 0.00 H new ATOM 0 HG21 THR A 18 4.278 -4.303 12.634 1.00 0.00 H new ATOM 0 HG22 THR A 18 4.923 -5.017 11.137 1.00 0.00 H new ATOM 0 HG23 THR A 18 3.164 -4.874 11.369 1.00 0.00 H new ATOM 236 N ILE A 19 4.511 -6.826 9.229 1.00 0.00 N ATOM 237 CA ILE A 19 5.421 -6.634 8.107 1.00 0.00 C ATOM 238 C ILE A 19 5.598 -5.153 7.791 1.00 0.00 C ATOM 239 O ILE A 19 5.011 -4.294 8.447 1.00 0.00 O ATOM 240 CB ILE A 19 4.920 -7.361 6.845 1.00 0.00 C ATOM 241 CG1 ILE A 19 3.557 -6.810 6.420 1.00 0.00 C ATOM 242 CG2 ILE A 19 4.838 -8.859 7.094 1.00 0.00 C ATOM 243 CD1 ILE A 19 3.256 -7.008 4.951 1.00 0.00 C ATOM 0 H ILE A 19 3.562 -6.489 9.065 1.00 0.00 H new ATOM 0 HA ILE A 19 6.381 -7.057 8.403 1.00 0.00 H new ATOM 0 HB ILE A 19 5.630 -7.186 6.037 1.00 0.00 H new ATOM 0 HG12 ILE A 19 2.779 -7.294 7.010 1.00 0.00 H new ATOM 0 HG13 ILE A 19 3.517 -5.745 6.650 1.00 0.00 H new ATOM 0 HG21 ILE A 19 4.482 -9.359 6.193 1.00 0.00 H new ATOM 0 HG22 ILE A 19 5.826 -9.239 7.354 1.00 0.00 H new ATOM 0 HG23 ILE A 19 4.147 -9.054 7.914 1.00 0.00 H new ATOM 0 HD11 ILE A 19 2.274 -6.593 4.722 1.00 0.00 H new ATOM 0 HD12 ILE A 19 4.013 -6.501 4.353 1.00 0.00 H new ATOM 0 HD13 ILE A 19 3.263 -8.073 4.718 1.00 0.00 H new ATOM 255 N GLU A 20 6.410 -4.862 6.779 1.00 0.00 N ATOM 256 CA GLU A 20 6.663 -3.485 6.375 1.00 0.00 C ATOM 257 C GLU A 20 6.507 -3.322 4.866 1.00 0.00 C ATOM 258 O GLU A 20 7.087 -4.078 4.086 1.00 0.00 O ATOM 259 CB GLU A 20 8.068 -3.054 6.802 1.00 0.00 C ATOM 260 CG GLU A 20 8.121 -2.444 8.194 1.00 0.00 C ATOM 261 CD GLU A 20 9.502 -1.935 8.555 1.00 0.00 C ATOM 262 OE1 GLU A 20 10.169 -1.350 7.676 1.00 0.00 O ATOM 263 OE2 GLU A 20 9.918 -2.121 9.719 1.00 0.00 O ATOM 0 H GLU A 20 6.903 -5.562 6.225 1.00 0.00 H new ATOM 0 HA GLU A 20 5.929 -2.849 6.870 1.00 0.00 H new ATOM 0 HB2 GLU A 20 8.730 -3.919 6.768 1.00 0.00 H new ATOM 0 HB3 GLU A 20 8.451 -2.331 6.083 1.00 0.00 H new ATOM 0 HG2 GLU A 20 7.408 -1.622 8.254 1.00 0.00 H new ATOM 0 HG3 GLU A 20 7.810 -3.190 8.926 1.00 0.00 H new ATOM 270 N VAL A 21 5.720 -2.331 4.462 1.00 0.00 N ATOM 271 CA VAL A 21 5.487 -2.068 3.047 1.00 0.00 C ATOM 272 C VAL A 21 5.947 -0.666 2.665 1.00 0.00 C ATOM 273 O VAL A 21 5.697 0.298 3.388 1.00 0.00 O ATOM 274 CB VAL A 21 3.998 -2.224 2.684 1.00 0.00 C ATOM 275 CG1 VAL A 21 3.832 -2.449 1.189 1.00 0.00 C ATOM 276 CG2 VAL A 21 3.374 -3.364 3.475 1.00 0.00 C ATOM 0 H VAL A 21 5.233 -1.697 5.095 1.00 0.00 H new ATOM 0 HA VAL A 21 6.068 -2.803 2.490 1.00 0.00 H new ATOM 0 HB VAL A 21 3.480 -1.302 2.947 1.00 0.00 H new ATOM 0 HG11 VAL A 21 2.773 -2.557 0.953 1.00 0.00 H new ATOM 0 HG12 VAL A 21 4.240 -1.597 0.645 1.00 0.00 H new ATOM 0 HG13 VAL A 21 4.363 -3.355 0.896 1.00 0.00 H new ATOM 0 HG21 VAL A 21 2.322 -3.460 3.206 1.00 0.00 H new ATOM 0 HG22 VAL A 21 3.894 -4.294 3.245 1.00 0.00 H new ATOM 0 HG23 VAL A 21 3.458 -3.156 4.542 1.00 0.00 H new ATOM 286 N GLU A 22 6.621 -0.561 1.524 1.00 0.00 N ATOM 287 CA GLU A 22 7.117 0.725 1.047 1.00 0.00 C ATOM 288 C GLU A 22 5.997 1.532 0.396 1.00 0.00 C ATOM 289 O GLU A 22 5.564 1.229 -0.717 1.00 0.00 O ATOM 290 CB GLU A 22 8.258 0.517 0.048 1.00 0.00 C ATOM 291 CG GLU A 22 9.574 0.130 0.700 1.00 0.00 C ATOM 292 CD GLU A 22 10.482 -0.646 -0.233 1.00 0.00 C ATOM 293 OE1 GLU A 22 10.150 -1.806 -0.555 1.00 0.00 O ATOM 294 OE2 GLU A 22 11.525 -0.094 -0.643 1.00 0.00 O ATOM 0 H GLU A 22 6.836 -1.349 0.914 1.00 0.00 H new ATOM 0 HA GLU A 22 7.492 1.283 1.905 1.00 0.00 H new ATOM 0 HB2 GLU A 22 7.972 -0.259 -0.662 1.00 0.00 H new ATOM 0 HB3 GLU A 22 8.401 1.434 -0.523 1.00 0.00 H new ATOM 0 HG2 GLU A 22 10.088 1.031 1.035 1.00 0.00 H new ATOM 0 HG3 GLU A 22 9.373 -0.470 1.587 1.00 0.00 H new ATOM 301 N VAL A 23 5.533 2.561 1.096 1.00 0.00 N ATOM 302 CA VAL A 23 4.465 3.413 0.587 1.00 0.00 C ATOM 303 C VAL A 23 4.678 4.866 0.997 1.00 0.00 C ATOM 304 O VAL A 23 4.867 5.184 2.171 1.00 0.00 O ATOM 305 CB VAL A 23 3.086 2.946 1.091 1.00 0.00 C ATOM 306 CG1 VAL A 23 1.997 3.905 0.635 1.00 0.00 C ATOM 307 CG2 VAL A 23 2.796 1.531 0.614 1.00 0.00 C ATOM 0 H VAL A 23 5.880 2.825 2.018 1.00 0.00 H new ATOM 0 HA VAL A 23 4.491 3.338 -0.500 1.00 0.00 H new ATOM 0 HB VAL A 23 3.099 2.942 2.181 1.00 0.00 H new ATOM 0 HG11 VAL A 23 1.030 3.558 1.001 1.00 0.00 H new ATOM 0 HG12 VAL A 23 2.199 4.900 1.031 1.00 0.00 H new ATOM 0 HG13 VAL A 23 1.980 3.945 -0.454 1.00 0.00 H new ATOM 0 HG21 VAL A 23 1.818 1.217 0.979 1.00 0.00 H new ATOM 0 HG22 VAL A 23 2.802 1.506 -0.476 1.00 0.00 H new ATOM 0 HG23 VAL A 23 3.560 0.854 0.996 1.00 0.00 H new ATOM 317 N PRO A 24 4.645 5.770 0.008 1.00 0.00 N ATOM 318 CA PRO A 24 4.832 7.206 0.241 1.00 0.00 C ATOM 319 C PRO A 24 3.655 7.831 0.982 1.00 0.00 C ATOM 320 O PRO A 24 2.497 7.603 0.633 1.00 0.00 O ATOM 321 CB PRO A 24 4.940 7.783 -1.173 1.00 0.00 C ATOM 322 CG PRO A 24 4.207 6.815 -2.035 1.00 0.00 C ATOM 323 CD PRO A 24 4.423 5.462 -1.415 1.00 0.00 C ATOM 0 HA PRO A 24 5.701 7.408 0.867 1.00 0.00 H new ATOM 0 HB2 PRO A 24 4.497 8.777 -1.230 1.00 0.00 H new ATOM 0 HB3 PRO A 24 5.981 7.879 -1.483 1.00 0.00 H new ATOM 0 HG2 PRO A 24 3.146 7.059 -2.080 1.00 0.00 H new ATOM 0 HG3 PRO A 24 4.583 6.840 -3.058 1.00 0.00 H new ATOM 0 HD2 PRO A 24 3.559 4.813 -1.556 1.00 0.00 H new ATOM 0 HD3 PRO A 24 5.280 4.951 -1.854 1.00 0.00 H new ATOM 331 N PHE A 25 3.960 8.620 2.008 1.00 0.00 N ATOM 332 CA PHE A 25 2.926 9.276 2.799 1.00 0.00 C ATOM 333 C PHE A 25 2.003 10.103 1.909 1.00 0.00 C ATOM 334 O PHE A 25 0.826 10.289 2.220 1.00 0.00 O ATOM 335 CB PHE A 25 3.563 10.172 3.864 1.00 0.00 C ATOM 336 CG PHE A 25 2.611 10.579 4.953 1.00 0.00 C ATOM 337 CD1 PHE A 25 1.692 11.595 4.745 1.00 0.00 C ATOM 338 CD2 PHE A 25 2.634 9.944 6.184 1.00 0.00 C ATOM 339 CE1 PHE A 25 0.815 11.971 5.744 1.00 0.00 C ATOM 340 CE2 PHE A 25 1.759 10.314 7.188 1.00 0.00 C ATOM 341 CZ PHE A 25 0.849 11.330 6.967 1.00 0.00 C ATOM 0 H PHE A 25 4.913 8.820 2.310 1.00 0.00 H new ATOM 0 HA PHE A 25 2.333 8.504 3.289 1.00 0.00 H new ATOM 0 HB2 PHE A 25 4.409 9.648 4.309 1.00 0.00 H new ATOM 0 HB3 PHE A 25 3.959 11.068 3.385 1.00 0.00 H new ATOM 0 HD1 PHE A 25 1.661 12.099 3.790 1.00 0.00 H new ATOM 0 HD2 PHE A 25 3.344 9.150 6.361 1.00 0.00 H new ATOM 0 HE1 PHE A 25 0.104 12.765 5.569 1.00 0.00 H new ATOM 0 HE2 PHE A 25 1.787 9.810 8.143 1.00 0.00 H new ATOM 0 HZ PHE A 25 0.165 11.623 7.750 1.00 0.00 H new ATOM 351 N ASP A 26 2.545 10.597 0.801 1.00 0.00 N ATOM 352 CA ASP A 26 1.771 11.405 -0.134 1.00 0.00 C ATOM 353 C ASP A 26 0.535 10.647 -0.611 1.00 0.00 C ATOM 354 O ASP A 26 -0.410 11.244 -1.128 1.00 0.00 O ATOM 355 CB ASP A 26 2.634 11.803 -1.332 1.00 0.00 C ATOM 356 CG ASP A 26 3.795 12.694 -0.939 1.00 0.00 C ATOM 357 OD1 ASP A 26 4.738 12.190 -0.295 1.00 0.00 O ATOM 358 OD2 ASP A 26 3.760 13.896 -1.275 1.00 0.00 O ATOM 0 H ASP A 26 3.517 10.452 0.529 1.00 0.00 H new ATOM 0 HA ASP A 26 1.445 12.307 0.385 1.00 0.00 H new ATOM 0 HB2 ASP A 26 3.017 10.904 -1.815 1.00 0.00 H new ATOM 0 HB3 ASP A 26 2.015 12.320 -2.066 1.00 0.00 H new ATOM 363 N LEU A 27 0.550 9.331 -0.435 1.00 0.00 N ATOM 364 CA LEU A 27 -0.570 8.492 -0.848 1.00 0.00 C ATOM 365 C LEU A 27 -1.439 8.117 0.348 1.00 0.00 C ATOM 366 O LEU A 27 -2.649 7.931 0.216 1.00 0.00 O ATOM 367 CB LEU A 27 -0.056 7.226 -1.537 1.00 0.00 C ATOM 368 CG LEU A 27 0.622 7.428 -2.893 1.00 0.00 C ATOM 369 CD1 LEU A 27 1.040 6.091 -3.484 1.00 0.00 C ATOM 370 CD2 LEU A 27 -0.304 8.169 -3.846 1.00 0.00 C ATOM 0 H LEU A 27 1.324 8.822 -0.009 1.00 0.00 H new ATOM 0 HA LEU A 27 -1.179 9.060 -1.552 1.00 0.00 H new ATOM 0 HB2 LEU A 27 0.652 6.735 -0.869 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -0.895 6.543 -1.671 1.00 0.00 H new ATOM 0 HG LEU A 27 1.517 8.032 -2.745 1.00 0.00 H new ATOM 0 HD11 LEU A 27 1.521 6.254 -4.449 1.00 0.00 H new ATOM 0 HD12 LEU A 27 1.739 5.597 -2.809 1.00 0.00 H new ATOM 0 HD13 LEU A 27 0.160 5.462 -3.619 1.00 0.00 H new ATOM 0 HD21 LEU A 27 0.194 8.304 -4.806 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -1.217 7.591 -3.989 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -0.554 9.144 -3.426 1.00 0.00 H new ATOM 382 N HIS A 28 -0.815 8.007 1.517 1.00 0.00 N ATOM 383 CA HIS A 28 -1.532 7.656 2.737 1.00 0.00 C ATOM 384 C HIS A 28 -2.876 8.375 2.803 1.00 0.00 C ATOM 385 O HIS A 28 -3.927 7.738 2.891 1.00 0.00 O ATOM 386 CB HIS A 28 -0.692 8.008 3.966 1.00 0.00 C ATOM 387 CG HIS A 28 0.488 7.108 4.162 1.00 0.00 C ATOM 388 ND1 HIS A 28 1.189 7.033 5.348 1.00 0.00 N ATOM 389 CD2 HIS A 28 1.090 6.240 3.315 1.00 0.00 C ATOM 390 CE1 HIS A 28 2.172 6.159 5.222 1.00 0.00 C ATOM 391 NE2 HIS A 28 2.134 5.664 3.998 1.00 0.00 N ATOM 0 H HIS A 28 0.186 8.156 1.645 1.00 0.00 H new ATOM 0 HA HIS A 28 -1.714 6.581 2.726 1.00 0.00 H new ATOM 0 HB2 HIS A 28 -0.343 9.037 3.875 1.00 0.00 H new ATOM 0 HB3 HIS A 28 -1.324 7.963 4.853 1.00 0.00 H new ATOM 0 HD2 HIS A 28 0.803 6.038 2.294 1.00 0.00 H new ATOM 0 HE1 HIS A 28 2.885 5.895 5.989 1.00 0.00 H new ATOM 0 HE2 HIS A 28 2.776 4.967 3.621 1.00 0.00 H new ATOM 399 N ARG A 29 -2.835 9.702 2.760 1.00 0.00 N ATOM 400 CA ARG A 29 -4.050 10.506 2.816 1.00 0.00 C ATOM 401 C ARG A 29 -5.153 9.885 1.964 1.00 0.00 C ATOM 402 O ARG A 29 -6.326 9.905 2.339 1.00 0.00 O ATOM 403 CB ARG A 29 -3.765 11.933 2.341 1.00 0.00 C ATOM 404 CG ARG A 29 -3.836 12.096 0.832 1.00 0.00 C ATOM 405 CD ARG A 29 -3.223 13.415 0.386 1.00 0.00 C ATOM 406 NE ARG A 29 -4.199 14.500 0.386 1.00 0.00 N ATOM 407 CZ ARG A 29 -4.524 15.196 1.471 1.00 0.00 C ATOM 408 NH1 ARG A 29 -3.954 14.919 2.635 1.00 0.00 N ATOM 409 NH2 ARG A 29 -5.422 16.169 1.391 1.00 0.00 N ATOM 0 H ARG A 29 -1.974 10.244 2.687 1.00 0.00 H new ATOM 0 HA ARG A 29 -4.389 10.536 3.852 1.00 0.00 H new ATOM 0 HB2 ARG A 29 -4.480 12.612 2.806 1.00 0.00 H new ATOM 0 HB3 ARG A 29 -2.774 12.230 2.684 1.00 0.00 H new ATOM 0 HG2 ARG A 29 -3.314 11.269 0.350 1.00 0.00 H new ATOM 0 HG3 ARG A 29 -4.876 12.048 0.508 1.00 0.00 H new ATOM 0 HD2 ARG A 29 -2.395 13.672 1.047 1.00 0.00 H new ATOM 0 HD3 ARG A 29 -2.807 13.301 -0.615 1.00 0.00 H new ATOM 0 HE ARG A 29 -4.657 14.737 -0.494 1.00 0.00 H new ATOM 0 HH11 ARG A 29 -3.264 14.170 2.700 1.00 0.00 H new ATOM 0 HH12 ARG A 29 -4.205 15.454 3.466 1.00 0.00 H new ATOM 0 HH21 ARG A 29 -5.863 16.383 0.497 1.00 0.00 H new ATOM 0 HH22 ARG A 29 -5.671 16.703 2.224 1.00 0.00 H new ATOM 423 N TYR A 30 -4.769 9.335 0.818 1.00 0.00 N ATOM 424 CA TYR A 30 -5.725 8.712 -0.088 1.00 0.00 C ATOM 425 C TYR A 30 -6.048 7.288 0.356 1.00 0.00 C ATOM 426 O TYR A 30 -7.200 6.856 0.306 1.00 0.00 O ATOM 427 CB TYR A 30 -5.175 8.699 -1.516 1.00 0.00 C ATOM 428 CG TYR A 30 -4.730 10.059 -2.005 1.00 0.00 C ATOM 429 CD1 TYR A 30 -5.500 11.190 -1.765 1.00 0.00 C ATOM 430 CD2 TYR A 30 -3.540 10.212 -2.706 1.00 0.00 C ATOM 431 CE1 TYR A 30 -5.099 12.435 -2.212 1.00 0.00 C ATOM 432 CE2 TYR A 30 -3.130 11.453 -3.154 1.00 0.00 C ATOM 433 CZ TYR A 30 -3.912 12.561 -2.905 1.00 0.00 C ATOM 434 OH TYR A 30 -3.509 13.798 -3.349 1.00 0.00 O ATOM 0 H TYR A 30 -3.802 9.308 0.495 1.00 0.00 H new ATOM 0 HA TYR A 30 -6.643 9.299 -0.065 1.00 0.00 H new ATOM 0 HB2 TYR A 30 -4.332 8.010 -1.565 1.00 0.00 H new ATOM 0 HB3 TYR A 30 -5.941 8.313 -2.188 1.00 0.00 H new ATOM 0 HD1 TYR A 30 -6.428 11.095 -1.220 1.00 0.00 H new ATOM 0 HD2 TYR A 30 -2.925 9.346 -2.904 1.00 0.00 H new ATOM 0 HE1 TYR A 30 -5.711 13.304 -2.020 1.00 0.00 H new ATOM 0 HE2 TYR A 30 -2.202 11.555 -3.696 1.00 0.00 H new ATOM 0 HH TYR A 30 -2.652 13.714 -3.817 1.00 0.00 H new ATOM 444 N VAL A 31 -5.022 6.564 0.792 1.00 0.00 N ATOM 445 CA VAL A 31 -5.195 5.189 1.247 1.00 0.00 C ATOM 446 C VAL A 31 -6.180 5.116 2.409 1.00 0.00 C ATOM 447 O VAL A 31 -7.180 4.401 2.344 1.00 0.00 O ATOM 448 CB VAL A 31 -3.855 4.569 1.683 1.00 0.00 C ATOM 449 CG1 VAL A 31 -4.055 3.136 2.150 1.00 0.00 C ATOM 450 CG2 VAL A 31 -2.845 4.633 0.548 1.00 0.00 C ATOM 0 H VAL A 31 -4.062 6.906 0.840 1.00 0.00 H new ATOM 0 HA VAL A 31 -5.590 4.623 0.403 1.00 0.00 H new ATOM 0 HB VAL A 31 -3.463 5.146 2.521 1.00 0.00 H new ATOM 0 HG11 VAL A 31 -3.097 2.715 2.454 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -4.742 3.122 2.996 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -4.470 2.542 1.335 1.00 0.00 H new ATOM 0 HG21 VAL A 31 -1.904 4.190 0.873 1.00 0.00 H new ATOM 0 HG22 VAL A 31 -3.227 4.082 -0.311 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -2.679 5.673 0.267 1.00 0.00 H new ATOM 460 N ILE A 32 -5.888 5.858 3.472 1.00 0.00 N ATOM 461 CA ILE A 32 -6.748 5.878 4.648 1.00 0.00 C ATOM 462 C ILE A 32 -8.171 6.291 4.283 1.00 0.00 C ATOM 463 O ILE A 32 -9.131 5.589 4.596 1.00 0.00 O ATOM 464 CB ILE A 32 -6.208 6.838 5.724 1.00 0.00 C ATOM 465 CG1 ILE A 32 -4.772 6.464 6.099 1.00 0.00 C ATOM 466 CG2 ILE A 32 -7.104 6.815 6.953 1.00 0.00 C ATOM 467 CD1 ILE A 32 -4.075 7.509 6.941 1.00 0.00 C ATOM 0 H ILE A 32 -5.063 6.453 3.543 1.00 0.00 H new ATOM 0 HA ILE A 32 -6.758 4.864 5.048 1.00 0.00 H new ATOM 0 HB ILE A 32 -6.206 7.850 5.318 1.00 0.00 H new ATOM 0 HG12 ILE A 32 -4.781 5.519 6.642 1.00 0.00 H new ATOM 0 HG13 ILE A 32 -4.198 6.302 5.187 1.00 0.00 H new ATOM 0 HG21 ILE A 32 -6.709 7.499 7.704 1.00 0.00 H new ATOM 0 HG22 ILE A 32 -8.111 7.125 6.675 1.00 0.00 H new ATOM 0 HG23 ILE A 32 -7.135 5.805 7.362 1.00 0.00 H new ATOM 0 HD11 ILE A 32 -3.062 7.177 7.169 1.00 0.00 H new ATOM 0 HD12 ILE A 32 -4.033 8.450 6.392 1.00 0.00 H new ATOM 0 HD13 ILE A 32 -4.626 7.655 7.870 1.00 0.00 H new ATOM 550 N ILE A 39 -9.217 1.519 3.399 1.00 0.00 N ATOM 551 CA ILE A 39 -8.425 0.493 4.064 1.00 0.00 C ATOM 552 C ILE A 39 -9.317 -0.571 4.692 1.00 0.00 C ATOM 553 O ILE A 39 -9.100 -1.769 4.505 1.00 0.00 O ATOM 554 CB ILE A 39 -7.520 1.097 5.154 1.00 0.00 C ATOM 555 CG1 ILE A 39 -6.447 1.987 4.522 1.00 0.00 C ATOM 556 CG2 ILE A 39 -6.880 -0.006 5.983 1.00 0.00 C ATOM 557 CD1 ILE A 39 -5.414 2.481 5.510 1.00 0.00 C ATOM 0 HA ILE A 39 -7.800 0.033 3.298 1.00 0.00 H new ATOM 0 HB ILE A 39 -8.132 1.711 5.814 1.00 0.00 H new ATOM 0 HG12 ILE A 39 -5.944 1.431 3.731 1.00 0.00 H new ATOM 0 HG13 ILE A 39 -6.928 2.845 4.052 1.00 0.00 H new ATOM 0 HG21 ILE A 39 -6.244 0.437 6.749 1.00 0.00 H new ATOM 0 HG22 ILE A 39 -7.659 -0.602 6.459 1.00 0.00 H new ATOM 0 HG23 ILE A 39 -6.278 -0.645 5.336 1.00 0.00 H new ATOM 0 HD11 ILE A 39 -4.685 3.105 4.993 1.00 0.00 H new ATOM 0 HD12 ILE A 39 -5.905 3.065 6.288 1.00 0.00 H new ATOM 0 HD13 ILE A 39 -4.906 1.629 5.962 1.00 0.00 H new ATOM 569 N ARG A 40 -10.326 -0.126 5.435 1.00 0.00 N ATOM 570 CA ARG A 40 -11.253 -1.040 6.090 1.00 0.00 C ATOM 571 C ARG A 40 -11.659 -2.171 5.149 1.00 0.00 C ATOM 572 O ARG A 40 -11.832 -3.314 5.573 1.00 0.00 O ATOM 573 CB ARG A 40 -12.497 -0.286 6.564 1.00 0.00 C ATOM 574 CG ARG A 40 -12.379 0.254 7.980 1.00 0.00 C ATOM 575 CD ARG A 40 -13.410 1.338 8.250 1.00 0.00 C ATOM 576 NE ARG A 40 -14.774 0.816 8.221 1.00 0.00 N ATOM 577 CZ ARG A 40 -15.852 1.564 8.430 1.00 0.00 C ATOM 578 NH1 ARG A 40 -15.726 2.860 8.682 1.00 0.00 N ATOM 579 NH2 ARG A 40 -17.060 1.016 8.388 1.00 0.00 N ATOM 0 H ARG A 40 -10.522 0.862 5.598 1.00 0.00 H new ATOM 0 HA ARG A 40 -10.747 -1.473 6.953 1.00 0.00 H new ATOM 0 HB2 ARG A 40 -12.691 0.543 5.883 1.00 0.00 H new ATOM 0 HB3 ARG A 40 -13.358 -0.952 6.509 1.00 0.00 H new ATOM 0 HG2 ARG A 40 -12.510 -0.560 8.693 1.00 0.00 H new ATOM 0 HG3 ARG A 40 -11.378 0.656 8.135 1.00 0.00 H new ATOM 0 HD2 ARG A 40 -13.215 1.789 9.223 1.00 0.00 H new ATOM 0 HD3 ARG A 40 -13.308 2.128 7.506 1.00 0.00 H new ATOM 0 HE ARG A 40 -14.906 -0.177 8.030 1.00 0.00 H new ATOM 0 HH11 ARG A 40 -14.799 3.285 8.716 1.00 0.00 H new ATOM 0 HH12 ARG A 40 -16.556 3.431 8.842 1.00 0.00 H new ATOM 0 HH21 ARG A 40 -17.162 0.020 8.195 1.00 0.00 H new ATOM 0 HH22 ARG A 40 -17.887 1.591 8.549 1.00 0.00 H new ATOM 593 N LYS A 41 -11.809 -1.844 3.871 1.00 0.00 N ATOM 594 CA LYS A 41 -12.193 -2.831 2.868 1.00 0.00 C ATOM 595 C LYS A 41 -11.231 -4.015 2.874 1.00 0.00 C ATOM 596 O LYS A 41 -11.652 -5.168 2.793 1.00 0.00 O ATOM 597 CB LYS A 41 -12.222 -2.191 1.478 1.00 0.00 C ATOM 598 CG LYS A 41 -12.336 -3.198 0.347 1.00 0.00 C ATOM 599 CD LYS A 41 -13.763 -3.698 0.188 1.00 0.00 C ATOM 600 CE LYS A 41 -13.971 -4.367 -1.162 1.00 0.00 C ATOM 601 NZ LYS A 41 -14.289 -3.376 -2.229 1.00 0.00 N ATOM 0 H LYS A 41 -11.671 -0.902 3.504 1.00 0.00 H new ATOM 0 HA LYS A 41 -13.191 -3.194 3.115 1.00 0.00 H new ATOM 0 HB2 LYS A 41 -13.062 -1.499 1.423 1.00 0.00 H new ATOM 0 HB3 LYS A 41 -11.315 -1.602 1.339 1.00 0.00 H new ATOM 0 HG2 LYS A 41 -12.004 -2.740 -0.585 1.00 0.00 H new ATOM 0 HG3 LYS A 41 -11.673 -4.041 0.541 1.00 0.00 H new ATOM 0 HD2 LYS A 41 -13.993 -4.405 0.985 1.00 0.00 H new ATOM 0 HD3 LYS A 41 -14.456 -2.863 0.292 1.00 0.00 H new ATOM 0 HE2 LYS A 41 -13.072 -4.920 -1.436 1.00 0.00 H new ATOM 0 HE3 LYS A 41 -14.781 -5.093 -1.087 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 -14.424 -3.871 -3.134 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 -15.161 -2.866 -1.980 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 -13.505 -2.699 -2.318 1.00 0.00 H new ATOM 615 N MET A 42 -9.938 -3.721 2.972 1.00 0.00 N ATOM 616 CA MET A 42 -8.918 -4.763 2.990 1.00 0.00 C ATOM 617 C MET A 42 -8.949 -5.531 4.308 1.00 0.00 C ATOM 618 O MET A 42 -9.168 -6.741 4.327 1.00 0.00 O ATOM 619 CB MET A 42 -7.532 -4.152 2.775 1.00 0.00 C ATOM 620 CG MET A 42 -7.399 -3.395 1.464 1.00 0.00 C ATOM 621 SD MET A 42 -6.159 -2.088 1.540 1.00 0.00 S ATOM 622 CE MET A 42 -4.654 -3.053 1.641 1.00 0.00 C ATOM 0 H MET A 42 -9.573 -2.771 3.040 1.00 0.00 H new ATOM 0 HA MET A 42 -9.130 -5.460 2.179 1.00 0.00 H new ATOM 0 HB2 MET A 42 -7.310 -3.475 3.600 1.00 0.00 H new ATOM 0 HB3 MET A 42 -6.785 -4.946 2.804 1.00 0.00 H new ATOM 0 HG2 MET A 42 -7.136 -4.094 0.670 1.00 0.00 H new ATOM 0 HG3 MET A 42 -8.363 -2.961 1.200 1.00 0.00 H new ATOM 0 HE1 MET A 42 -3.865 -2.451 2.093 1.00 0.00 H new ATOM 0 HE2 MET A 42 -4.830 -3.938 2.252 1.00 0.00 H new ATOM 0 HE3 MET A 42 -4.349 -3.358 0.640 1.00 0.00 H new ATOM 632 N MET A 43 -8.728 -4.818 5.409 1.00 0.00 N ATOM 633 CA MET A 43 -8.731 -5.433 6.731 1.00 0.00 C ATOM 634 C MET A 43 -9.920 -6.377 6.888 1.00 0.00 C ATOM 635 O MET A 43 -9.843 -7.372 7.609 1.00 0.00 O ATOM 636 CB MET A 43 -8.774 -4.357 7.817 1.00 0.00 C ATOM 637 CG MET A 43 -7.492 -3.544 7.916 1.00 0.00 C ATOM 638 SD MET A 43 -7.438 -2.511 9.393 1.00 0.00 S ATOM 639 CE MET A 43 -8.933 -1.545 9.185 1.00 0.00 C ATOM 0 H MET A 43 -8.545 -3.815 5.411 1.00 0.00 H new ATOM 0 HA MET A 43 -7.813 -6.011 6.838 1.00 0.00 H new ATOM 0 HB2 MET A 43 -9.608 -3.684 7.617 1.00 0.00 H new ATOM 0 HB3 MET A 43 -8.970 -4.830 8.779 1.00 0.00 H new ATOM 0 HG2 MET A 43 -6.637 -4.220 7.918 1.00 0.00 H new ATOM 0 HG3 MET A 43 -7.397 -2.913 7.032 1.00 0.00 H new ATOM 0 HE1 MET A 43 -8.977 -0.773 9.953 1.00 0.00 H new ATOM 0 HE2 MET A 43 -8.930 -1.078 8.200 1.00 0.00 H new ATOM 0 HE3 MET A 43 -9.802 -2.196 9.275 1.00 0.00 H new ATOM 649 N ASP A 44 -11.016 -6.058 6.209 1.00 0.00 N ATOM 650 CA ASP A 44 -12.221 -6.878 6.274 1.00 0.00 C ATOM 651 C ASP A 44 -12.186 -7.978 5.218 1.00 0.00 C ATOM 652 O ASP A 44 -12.757 -9.051 5.407 1.00 0.00 O ATOM 653 CB ASP A 44 -13.466 -6.010 6.083 1.00 0.00 C ATOM 654 CG ASP A 44 -13.945 -5.391 7.381 1.00 0.00 C ATOM 655 OD1 ASP A 44 -13.469 -4.289 7.724 1.00 0.00 O ATOM 656 OD2 ASP A 44 -14.796 -6.009 8.054 1.00 0.00 O ATOM 0 H ASP A 44 -11.095 -5.238 5.607 1.00 0.00 H new ATOM 0 HA ASP A 44 -12.261 -7.344 7.258 1.00 0.00 H new ATOM 0 HB2 ASP A 44 -13.247 -5.219 5.366 1.00 0.00 H new ATOM 0 HB3 ASP A 44 -14.265 -6.615 5.656 1.00 0.00 H new ATOM 661 N GLU A 45 -11.513 -7.702 4.105 1.00 0.00 N ATOM 662 CA GLU A 45 -11.405 -8.669 3.019 1.00 0.00 C ATOM 663 C GLU A 45 -10.303 -9.686 3.302 1.00 0.00 C ATOM 664 O GLU A 45 -10.566 -10.882 3.430 1.00 0.00 O ATOM 665 CB GLU A 45 -11.126 -7.953 1.696 1.00 0.00 C ATOM 666 CG GLU A 45 -11.060 -8.888 0.500 1.00 0.00 C ATOM 667 CD GLU A 45 -12.432 -9.250 -0.036 1.00 0.00 C ATOM 668 OE1 GLU A 45 -13.055 -10.183 0.514 1.00 0.00 O ATOM 669 OE2 GLU A 45 -12.881 -8.601 -1.003 1.00 0.00 O ATOM 0 H GLU A 45 -11.035 -6.818 3.932 1.00 0.00 H new ATOM 0 HA GLU A 45 -12.354 -9.200 2.944 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -11.905 -7.210 1.523 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -10.183 -7.413 1.777 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -10.477 -8.418 -0.292 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -10.534 -9.799 0.785 1.00 0.00 H new ATOM 676 N PHE A 46 -9.070 -9.201 3.398 1.00 0.00 N ATOM 677 CA PHE A 46 -7.928 -10.067 3.664 1.00 0.00 C ATOM 678 C PHE A 46 -7.876 -10.462 5.138 1.00 0.00 C ATOM 679 O PHE A 46 -6.986 -11.199 5.562 1.00 0.00 O ATOM 680 CB PHE A 46 -6.627 -9.367 3.266 1.00 0.00 C ATOM 681 CG PHE A 46 -6.482 -9.168 1.785 1.00 0.00 C ATOM 682 CD1 PHE A 46 -6.107 -10.219 0.963 1.00 0.00 C ATOM 683 CD2 PHE A 46 -6.721 -7.928 1.213 1.00 0.00 C ATOM 684 CE1 PHE A 46 -5.975 -10.038 -0.400 1.00 0.00 C ATOM 685 CE2 PHE A 46 -6.589 -7.742 -0.151 1.00 0.00 C ATOM 686 CZ PHE A 46 -6.215 -8.798 -0.958 1.00 0.00 C ATOM 0 H PHE A 46 -8.836 -8.213 3.296 1.00 0.00 H new ATOM 0 HA PHE A 46 -8.043 -10.972 3.067 1.00 0.00 H new ATOM 0 HB2 PHE A 46 -6.580 -8.397 3.761 1.00 0.00 H new ATOM 0 HB3 PHE A 46 -5.783 -9.952 3.630 1.00 0.00 H new ATOM 0 HD1 PHE A 46 -5.916 -11.191 1.393 1.00 0.00 H new ATOM 0 HD2 PHE A 46 -7.013 -7.098 1.839 1.00 0.00 H new ATOM 0 HE1 PHE A 46 -5.684 -10.866 -1.029 1.00 0.00 H new ATOM 0 HE2 PHE A 46 -6.778 -6.771 -0.585 1.00 0.00 H new ATOM 0 HZ PHE A 46 -6.110 -8.654 -2.023 1.00 0.00 H new ATOM 696 N GLU A 47 -8.836 -9.965 5.912 1.00 0.00 N ATOM 697 CA GLU A 47 -8.899 -10.264 7.337 1.00 0.00 C ATOM 698 C GLU A 47 -7.569 -9.954 8.017 1.00 0.00 C ATOM 699 O GLU A 47 -7.034 -10.773 8.764 1.00 0.00 O ATOM 700 CB GLU A 47 -9.265 -11.733 7.556 1.00 0.00 C ATOM 701 CG GLU A 47 -10.677 -12.080 7.116 1.00 0.00 C ATOM 702 CD GLU A 47 -10.973 -13.565 7.220 1.00 0.00 C ATOM 703 OE1 GLU A 47 -10.494 -14.327 6.355 1.00 0.00 O ATOM 704 OE2 GLU A 47 -11.682 -13.963 8.168 1.00 0.00 O ATOM 0 H GLU A 47 -9.580 -9.354 5.576 1.00 0.00 H new ATOM 0 HA GLU A 47 -9.670 -9.634 7.781 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -8.559 -12.360 7.011 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -9.154 -11.973 8.613 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -11.390 -11.528 7.728 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -10.822 -11.756 6.086 1.00 0.00 H new ATOM 711 N VAL A 48 -7.039 -8.762 7.753 1.00 0.00 N ATOM 712 CA VAL A 48 -5.772 -8.342 8.339 1.00 0.00 C ATOM 713 C VAL A 48 -5.889 -6.956 8.963 1.00 0.00 C ATOM 714 O VAL A 48 -6.938 -6.318 8.892 1.00 0.00 O ATOM 715 CB VAL A 48 -4.646 -8.327 7.289 1.00 0.00 C ATOM 716 CG1 VAL A 48 -3.989 -9.696 7.192 1.00 0.00 C ATOM 717 CG2 VAL A 48 -5.184 -7.888 5.937 1.00 0.00 C ATOM 0 H VAL A 48 -7.468 -8.071 7.137 1.00 0.00 H new ATOM 0 HA VAL A 48 -5.525 -9.067 9.115 1.00 0.00 H new ATOM 0 HB VAL A 48 -3.889 -7.608 7.603 1.00 0.00 H new ATOM 0 HG11 VAL A 48 -3.196 -9.667 6.445 1.00 0.00 H new ATOM 0 HG12 VAL A 48 -3.567 -9.966 8.160 1.00 0.00 H new ATOM 0 HG13 VAL A 48 -4.734 -10.437 6.901 1.00 0.00 H new ATOM 0 HG21 VAL A 48 -4.374 -7.883 5.207 1.00 0.00 H new ATOM 0 HG22 VAL A 48 -5.961 -8.580 5.612 1.00 0.00 H new ATOM 0 HG23 VAL A 48 -5.603 -6.885 6.020 1.00 0.00 H new ATOM 727 N ASN A 49 -4.803 -6.495 9.575 1.00 0.00 N ATOM 728 CA ASN A 49 -4.783 -5.184 10.212 1.00 0.00 C ATOM 729 C ASN A 49 -3.665 -4.318 9.640 1.00 0.00 C ATOM 730 O ASN A 49 -2.501 -4.719 9.625 1.00 0.00 O ATOM 731 CB ASN A 49 -4.605 -5.331 11.724 1.00 0.00 C ATOM 732 CG ASN A 49 -5.873 -5.796 12.413 1.00 0.00 C ATOM 733 OD1 ASN A 49 -6.973 -5.353 12.079 1.00 0.00 O ATOM 734 ND2 ASN A 49 -5.727 -6.694 13.381 1.00 0.00 N ATOM 0 H ASN A 49 -3.925 -7.010 9.643 1.00 0.00 H new ATOM 0 HA ASN A 49 -5.737 -4.696 10.010 1.00 0.00 H new ATOM 0 HB2 ASN A 49 -3.804 -6.042 11.925 1.00 0.00 H new ATOM 0 HB3 ASN A 49 -4.296 -4.375 12.145 1.00 0.00 H new ATOM 0 HD21 ASN A 49 -6.545 -7.044 13.880 1.00 0.00 H new ATOM 0 HD22 ASN A 49 -4.797 -7.034 13.625 1.00 0.00 H new ATOM 741 N ILE A 50 -4.027 -3.129 9.169 1.00 0.00 N ATOM 742 CA ILE A 50 -3.054 -2.206 8.597 1.00 0.00 C ATOM 743 C ILE A 50 -2.882 -0.973 9.478 1.00 0.00 C ATOM 744 O ILE A 50 -3.860 -0.339 9.876 1.00 0.00 O ATOM 745 CB ILE A 50 -3.468 -1.757 7.183 1.00 0.00 C ATOM 746 CG1 ILE A 50 -3.580 -2.968 6.253 1.00 0.00 C ATOM 747 CG2 ILE A 50 -2.469 -0.751 6.633 1.00 0.00 C ATOM 748 CD1 ILE A 50 -4.103 -2.625 4.876 1.00 0.00 C ATOM 0 H ILE A 50 -4.986 -2.782 9.172 1.00 0.00 H new ATOM 0 HA ILE A 50 -2.107 -2.743 8.537 1.00 0.00 H new ATOM 0 HB ILE A 50 -4.444 -1.275 7.241 1.00 0.00 H new ATOM 0 HG12 ILE A 50 -2.599 -3.433 6.155 1.00 0.00 H new ATOM 0 HG13 ILE A 50 -4.239 -3.707 6.709 1.00 0.00 H new ATOM 0 HG21 ILE A 50 -2.775 -0.443 5.633 1.00 0.00 H new ATOM 0 HG22 ILE A 50 -2.434 0.121 7.286 1.00 0.00 H new ATOM 0 HG23 ILE A 50 -1.481 -1.209 6.585 1.00 0.00 H new ATOM 0 HD11 ILE A 50 -4.156 -3.530 4.271 1.00 0.00 H new ATOM 0 HD12 ILE A 50 -5.098 -2.188 4.963 1.00 0.00 H new ATOM 0 HD13 ILE A 50 -3.433 -1.909 4.400 1.00 0.00 H new ATOM 760 N HIS A 51 -1.632 -0.638 9.779 1.00 0.00 N ATOM 761 CA HIS A 51 -1.330 0.521 10.612 1.00 0.00 C ATOM 762 C HIS A 51 -0.465 1.523 9.855 1.00 0.00 C ATOM 763 O HIS A 51 0.613 1.185 9.366 1.00 0.00 O ATOM 764 CB HIS A 51 -0.621 0.084 11.894 1.00 0.00 C ATOM 765 CG HIS A 51 -1.557 -0.226 13.021 1.00 0.00 C ATOM 766 ND1 HIS A 51 -1.295 0.113 14.332 1.00 0.00 N ATOM 767 CD2 HIS A 51 -2.761 -0.846 13.027 1.00 0.00 C ATOM 768 CE1 HIS A 51 -2.297 -0.287 15.096 1.00 0.00 C ATOM 769 NE2 HIS A 51 -3.199 -0.870 14.329 1.00 0.00 N ATOM 0 H HIS A 51 -0.811 -1.152 9.459 1.00 0.00 H new ATOM 0 HA HIS A 51 -2.271 1.004 10.873 1.00 0.00 H new ATOM 0 HB2 HIS A 51 -0.016 -0.798 11.682 1.00 0.00 H new ATOM 0 HB3 HIS A 51 0.063 0.872 12.208 1.00 0.00 H new ATOM 0 HD2 HIS A 51 -3.280 -1.247 12.169 1.00 0.00 H new ATOM 0 HE1 HIS A 51 -2.366 -0.159 16.166 1.00 0.00 H new ATOM 0 HE2 HIS A 51 -4.079 -1.273 14.651 1.00 0.00 H new ATOM 777 N VAL A 52 -0.944 2.760 9.761 1.00 0.00 N ATOM 778 CA VAL A 52 -0.215 3.812 9.063 1.00 0.00 C ATOM 779 C VAL A 52 0.447 4.768 10.049 1.00 0.00 C ATOM 780 O VAL A 52 -0.131 5.148 11.067 1.00 0.00 O ATOM 781 CB VAL A 52 -1.142 4.615 8.131 1.00 0.00 C ATOM 782 CG1 VAL A 52 -0.378 5.747 7.463 1.00 0.00 C ATOM 783 CG2 VAL A 52 -1.774 3.702 7.093 1.00 0.00 C ATOM 0 H VAL A 52 -1.834 3.058 10.160 1.00 0.00 H new ATOM 0 HA VAL A 52 0.553 3.321 8.465 1.00 0.00 H new ATOM 0 HB VAL A 52 -1.940 5.052 8.731 1.00 0.00 H new ATOM 0 HG11 VAL A 52 -1.050 6.303 6.809 1.00 0.00 H new ATOM 0 HG12 VAL A 52 0.022 6.416 8.225 1.00 0.00 H new ATOM 0 HG13 VAL A 52 0.443 5.335 6.875 1.00 0.00 H new ATOM 0 HG21 VAL A 52 -2.426 4.286 6.443 1.00 0.00 H new ATOM 0 HG22 VAL A 52 -0.992 3.234 6.496 1.00 0.00 H new ATOM 0 HG23 VAL A 52 -2.359 2.931 7.595 1.00 0.00 H new ATOM 793 N PRO A 53 1.691 5.166 9.742 1.00 0.00 N ATOM 794 CA PRO A 53 2.460 6.084 10.588 1.00 0.00 C ATOM 795 C PRO A 53 1.896 7.500 10.569 1.00 0.00 C ATOM 796 O PRO A 53 1.608 8.050 9.506 1.00 0.00 O ATOM 797 CB PRO A 53 3.857 6.056 9.962 1.00 0.00 C ATOM 798 CG PRO A 53 3.628 5.677 8.540 1.00 0.00 C ATOM 799 CD PRO A 53 2.441 4.753 8.544 1.00 0.00 C ATOM 0 HA PRO A 53 2.441 5.785 11.636 1.00 0.00 H new ATOM 0 HB2 PRO A 53 4.345 7.028 10.039 1.00 0.00 H new ATOM 0 HB3 PRO A 53 4.502 5.335 10.465 1.00 0.00 H new ATOM 0 HG2 PRO A 53 3.435 6.558 7.928 1.00 0.00 H new ATOM 0 HG3 PRO A 53 4.505 5.184 8.121 1.00 0.00 H new ATOM 0 HD2 PRO A 53 1.844 4.862 7.639 1.00 0.00 H new ATOM 0 HD3 PRO A 53 2.745 3.708 8.601 1.00 0.00 H new ATOM 807 N ALA A 54 1.741 8.085 11.752 1.00 0.00 N ATOM 808 CA ALA A 54 1.213 9.440 11.871 1.00 0.00 C ATOM 809 C ALA A 54 2.053 10.428 11.070 1.00 0.00 C ATOM 810 O ALA A 54 3.162 10.125 10.630 1.00 0.00 O ATOM 811 CB ALA A 54 1.155 9.857 13.333 1.00 0.00 C ATOM 0 H ALA A 54 1.973 7.643 12.641 1.00 0.00 H new ATOM 0 HA ALA A 54 0.203 9.447 11.462 1.00 0.00 H new ATOM 0 HB1 ALA A 54 0.759 10.870 13.407 1.00 0.00 H new ATOM 0 HB2 ALA A 54 0.507 9.173 13.881 1.00 0.00 H new ATOM 0 HB3 ALA A 54 2.157 9.827 13.760 1.00 0.00 H new ATOM 817 N PRO A 55 1.513 11.640 10.873 1.00 0.00 N ATOM 818 CA PRO A 55 2.197 12.699 10.122 1.00 0.00 C ATOM 819 C PRO A 55 3.407 13.250 10.870 1.00 0.00 C ATOM 820 O PRO A 55 4.383 13.679 10.256 1.00 0.00 O ATOM 821 CB PRO A 55 1.122 13.778 9.973 1.00 0.00 C ATOM 822 CG PRO A 55 0.199 13.556 11.122 1.00 0.00 C ATOM 823 CD PRO A 55 0.195 12.071 11.367 1.00 0.00 C ATOM 0 HA PRO A 55 2.591 12.337 9.172 1.00 0.00 H new ATOM 0 HB2 PRO A 55 1.557 14.777 10.002 1.00 0.00 H new ATOM 0 HB3 PRO A 55 0.598 13.686 9.021 1.00 0.00 H new ATOM 0 HG2 PRO A 55 0.538 14.097 12.006 1.00 0.00 H new ATOM 0 HG3 PRO A 55 -0.804 13.917 10.893 1.00 0.00 H new ATOM 0 HD2 PRO A 55 0.066 11.839 12.424 1.00 0.00 H new ATOM 0 HD3 PRO A 55 -0.616 11.578 10.831 1.00 0.00 H new ATOM 831 N GLU A 56 3.334 13.235 12.197 1.00 0.00 N ATOM 832 CA GLU A 56 4.424 13.734 13.026 1.00 0.00 C ATOM 833 C GLU A 56 5.663 12.853 12.886 1.00 0.00 C ATOM 834 O GLU A 56 6.784 13.294 13.141 1.00 0.00 O ATOM 835 CB GLU A 56 3.992 13.795 14.492 1.00 0.00 C ATOM 836 CG GLU A 56 3.829 12.429 15.137 1.00 0.00 C ATOM 837 CD GLU A 56 5.104 11.935 15.789 1.00 0.00 C ATOM 838 OE1 GLU A 56 6.197 12.326 15.327 1.00 0.00 O ATOM 839 OE2 GLU A 56 5.012 11.157 16.762 1.00 0.00 O ATOM 0 H GLU A 56 2.532 12.883 12.720 1.00 0.00 H new ATOM 0 HA GLU A 56 4.674 14.739 12.686 1.00 0.00 H new ATOM 0 HB2 GLU A 56 4.729 14.368 15.055 1.00 0.00 H new ATOM 0 HB3 GLU A 56 3.048 14.335 14.561 1.00 0.00 H new ATOM 0 HG2 GLU A 56 3.038 12.477 15.885 1.00 0.00 H new ATOM 0 HG3 GLU A 56 3.510 11.711 14.382 1.00 0.00 H new ATOM 846 N LEU A 57 5.451 11.607 12.479 1.00 0.00 N ATOM 847 CA LEU A 57 6.549 10.662 12.304 1.00 0.00 C ATOM 848 C LEU A 57 7.152 10.780 10.908 1.00 0.00 C ATOM 849 O LEU A 57 8.295 10.384 10.681 1.00 0.00 O ATOM 850 CB LEU A 57 6.060 9.232 12.542 1.00 0.00 C ATOM 851 CG LEU A 57 5.522 8.931 13.940 1.00 0.00 C ATOM 852 CD1 LEU A 57 4.691 7.656 13.930 1.00 0.00 C ATOM 853 CD2 LEU A 57 6.664 8.816 14.939 1.00 0.00 C ATOM 0 H LEU A 57 4.529 11.227 12.264 1.00 0.00 H new ATOM 0 HA LEU A 57 7.322 10.901 13.035 1.00 0.00 H new ATOM 0 HB2 LEU A 57 5.276 9.012 11.818 1.00 0.00 H new ATOM 0 HB3 LEU A 57 6.884 8.549 12.337 1.00 0.00 H new ATOM 0 HG LEU A 57 4.880 9.757 14.246 1.00 0.00 H new ATOM 0 HD11 LEU A 57 4.316 7.458 14.934 1.00 0.00 H new ATOM 0 HD12 LEU A 57 3.851 7.775 13.246 1.00 0.00 H new ATOM 0 HD13 LEU A 57 5.310 6.821 13.602 1.00 0.00 H new ATOM 0 HD21 LEU A 57 6.261 8.601 15.929 1.00 0.00 H new ATOM 0 HD22 LEU A 57 7.332 8.010 14.637 1.00 0.00 H new ATOM 0 HD23 LEU A 57 7.218 9.754 14.968 1.00 0.00 H new ATOM 865 N GLN A 58 6.377 11.330 9.978 1.00 0.00 N ATOM 866 CA GLN A 58 6.837 11.501 8.606 1.00 0.00 C ATOM 867 C GLN A 58 7.485 10.223 8.084 1.00 0.00 C ATOM 868 O GLN A 58 8.600 10.247 7.566 1.00 0.00 O ATOM 869 CB GLN A 58 7.830 12.662 8.519 1.00 0.00 C ATOM 870 CG GLN A 58 7.359 13.921 9.229 1.00 0.00 C ATOM 871 CD GLN A 58 8.503 14.833 9.623 1.00 0.00 C ATOM 872 OE1 GLN A 58 8.975 14.801 10.759 1.00 0.00 O ATOM 873 NE2 GLN A 58 8.956 15.653 8.682 1.00 0.00 N ATOM 0 H GLN A 58 5.429 11.664 10.150 1.00 0.00 H new ATOM 0 HA GLN A 58 5.970 11.726 7.985 1.00 0.00 H new ATOM 0 HB2 GLN A 58 8.782 12.348 8.948 1.00 0.00 H new ATOM 0 HB3 GLN A 58 8.014 12.894 7.470 1.00 0.00 H new ATOM 0 HG2 GLN A 58 6.674 14.465 8.579 1.00 0.00 H new ATOM 0 HG3 GLN A 58 6.798 13.642 10.121 1.00 0.00 H new ATOM 0 HE21 GLN A 58 8.535 15.646 7.753 1.00 0.00 H new ATOM 0 HE22 GLN A 58 9.725 16.290 8.888 1.00 0.00 H new ATOM 882 N SER A 59 6.777 9.106 8.227 1.00 0.00 N ATOM 883 CA SER A 59 7.285 7.817 7.774 1.00 0.00 C ATOM 884 C SER A 59 6.596 7.384 6.483 1.00 0.00 C ATOM 885 O SER A 59 5.441 7.732 6.237 1.00 0.00 O ATOM 886 CB SER A 59 7.077 6.755 8.856 1.00 0.00 C ATOM 887 OG SER A 59 8.048 5.727 8.754 1.00 0.00 O ATOM 0 H SER A 59 5.851 9.069 8.653 1.00 0.00 H new ATOM 0 HA SER A 59 8.352 7.924 7.578 1.00 0.00 H new ATOM 0 HB2 SER A 59 7.135 7.218 9.841 1.00 0.00 H new ATOM 0 HB3 SER A 59 6.079 6.327 8.763 1.00 0.00 H new ATOM 0 HG SER A 59 7.895 5.062 9.457 1.00 0.00 H new ATOM 893 N ASP A 60 7.314 6.626 5.662 1.00 0.00 N ATOM 894 CA ASP A 60 6.773 6.144 4.396 1.00 0.00 C ATOM 895 C ASP A 60 6.685 4.621 4.388 1.00 0.00 C ATOM 896 O ASP A 60 6.610 4.001 3.327 1.00 0.00 O ATOM 897 CB ASP A 60 7.641 6.624 3.232 1.00 0.00 C ATOM 898 CG ASP A 60 7.940 8.108 3.305 1.00 0.00 C ATOM 899 OD1 ASP A 60 8.889 8.488 4.023 1.00 0.00 O ATOM 900 OD2 ASP A 60 7.225 8.890 2.645 1.00 0.00 O ATOM 0 H ASP A 60 8.272 6.332 5.850 1.00 0.00 H new ATOM 0 HA ASP A 60 5.767 6.548 4.280 1.00 0.00 H new ATOM 0 HB2 ASP A 60 8.578 6.067 3.228 1.00 0.00 H new ATOM 0 HB3 ASP A 60 7.136 6.404 2.291 1.00 0.00 H new ATOM 905 N ILE A 61 6.693 4.026 5.575 1.00 0.00 N ATOM 906 CA ILE A 61 6.614 2.577 5.704 1.00 0.00 C ATOM 907 C ILE A 61 5.367 2.162 6.477 1.00 0.00 C ATOM 908 O ILE A 61 5.207 2.505 7.648 1.00 0.00 O ATOM 909 CB ILE A 61 7.857 2.005 6.411 1.00 0.00 C ATOM 910 CG1 ILE A 61 9.112 2.765 5.978 1.00 0.00 C ATOM 911 CG2 ILE A 61 8.000 0.520 6.112 1.00 0.00 C ATOM 912 CD1 ILE A 61 9.478 2.549 4.526 1.00 0.00 C ATOM 0 H ILE A 61 6.753 4.526 6.462 1.00 0.00 H new ATOM 0 HA ILE A 61 6.564 2.173 4.693 1.00 0.00 H new ATOM 0 HB ILE A 61 7.734 2.129 7.487 1.00 0.00 H new ATOM 0 HG12 ILE A 61 8.960 3.830 6.151 1.00 0.00 H new ATOM 0 HG13 ILE A 61 9.948 2.456 6.605 1.00 0.00 H new ATOM 0 HG21 ILE A 61 8.883 0.130 6.619 1.00 0.00 H new ATOM 0 HG22 ILE A 61 7.115 -0.009 6.466 1.00 0.00 H new ATOM 0 HG23 ILE A 61 8.104 0.374 5.037 1.00 0.00 H new ATOM 0 HD11 ILE A 61 10.377 3.118 4.289 1.00 0.00 H new ATOM 0 HD12 ILE A 61 9.662 1.489 4.351 1.00 0.00 H new ATOM 0 HD13 ILE A 61 8.658 2.884 3.890 1.00 0.00 H new ATOM 924 N ILE A 62 4.487 1.418 5.814 1.00 0.00 N ATOM 925 CA ILE A 62 3.256 0.952 6.440 1.00 0.00 C ATOM 926 C ILE A 62 3.438 -0.433 7.050 1.00 0.00 C ATOM 927 O ILE A 62 4.069 -1.307 6.455 1.00 0.00 O ATOM 928 CB ILE A 62 2.094 0.906 5.429 1.00 0.00 C ATOM 929 CG1 ILE A 62 1.638 2.325 5.078 1.00 0.00 C ATOM 930 CG2 ILE A 62 0.936 0.096 5.992 1.00 0.00 C ATOM 931 CD1 ILE A 62 0.497 2.364 4.087 1.00 0.00 C ATOM 0 H ILE A 62 4.604 1.125 4.844 1.00 0.00 H new ATOM 0 HA ILE A 62 3.014 1.664 7.229 1.00 0.00 H new ATOM 0 HB ILE A 62 2.443 0.421 4.517 1.00 0.00 H new ATOM 0 HG12 ILE A 62 1.333 2.836 5.991 1.00 0.00 H new ATOM 0 HG13 ILE A 62 2.483 2.879 4.669 1.00 0.00 H new ATOM 0 HG21 ILE A 62 0.122 0.072 5.267 1.00 0.00 H new ATOM 0 HG22 ILE A 62 1.269 -0.921 6.197 1.00 0.00 H new ATOM 0 HG23 ILE A 62 0.585 0.556 6.916 1.00 0.00 H new ATOM 0 HD11 ILE A 62 0.226 3.400 3.885 1.00 0.00 H new ATOM 0 HD12 ILE A 62 0.804 1.881 3.159 1.00 0.00 H new ATOM 0 HD13 ILE A 62 -0.363 1.838 4.502 1.00 0.00 H new ATOM 943 N ALA A 63 2.881 -0.627 8.240 1.00 0.00 N ATOM 944 CA ALA A 63 2.980 -1.907 8.930 1.00 0.00 C ATOM 945 C ALA A 63 1.669 -2.682 8.841 1.00 0.00 C ATOM 946 O ALA A 63 0.601 -2.150 9.150 1.00 0.00 O ATOM 947 CB ALA A 63 3.370 -1.694 10.386 1.00 0.00 C ATOM 0 H ALA A 63 2.356 0.086 8.747 1.00 0.00 H new ATOM 0 HA ALA A 63 3.755 -2.496 8.440 1.00 0.00 H new ATOM 0 HB1 ALA A 63 3.440 -2.659 10.889 1.00 0.00 H new ATOM 0 HB2 ALA A 63 4.335 -1.189 10.434 1.00 0.00 H new ATOM 0 HB3 ALA A 63 2.615 -1.082 10.879 1.00 0.00 H new ATOM 953 N ILE A 64 1.757 -3.936 8.415 1.00 0.00 N ATOM 954 CA ILE A 64 0.577 -4.783 8.285 1.00 0.00 C ATOM 955 C ILE A 64 0.700 -6.035 9.148 1.00 0.00 C ATOM 956 O ILE A 64 1.644 -6.812 9.003 1.00 0.00 O ATOM 957 CB ILE A 64 0.345 -5.203 6.822 1.00 0.00 C ATOM 958 CG1 ILE A 64 0.309 -3.973 5.913 1.00 0.00 C ATOM 959 CG2 ILE A 64 -0.947 -5.997 6.698 1.00 0.00 C ATOM 960 CD1 ILE A 64 0.246 -4.309 4.440 1.00 0.00 C ATOM 0 H ILE A 64 2.633 -4.389 8.154 1.00 0.00 H new ATOM 0 HA ILE A 64 -0.274 -4.193 8.625 1.00 0.00 H new ATOM 0 HB ILE A 64 1.172 -5.839 6.507 1.00 0.00 H new ATOM 0 HG12 ILE A 64 -0.556 -3.363 6.175 1.00 0.00 H new ATOM 0 HG13 ILE A 64 1.195 -3.367 6.101 1.00 0.00 H new ATOM 0 HG21 ILE A 64 -1.098 -6.287 5.658 1.00 0.00 H new ATOM 0 HG22 ILE A 64 -0.886 -6.891 7.319 1.00 0.00 H new ATOM 0 HG23 ILE A 64 -1.785 -5.383 7.028 1.00 0.00 H new ATOM 0 HD11 ILE A 64 0.223 -3.388 3.857 1.00 0.00 H new ATOM 0 HD12 ILE A 64 1.124 -4.893 4.162 1.00 0.00 H new ATOM 0 HD13 ILE A 64 -0.654 -4.889 4.237 1.00 0.00 H new ATOM 972 N THR A 65 -0.261 -6.223 10.046 1.00 0.00 N ATOM 973 CA THR A 65 -0.261 -7.381 10.933 1.00 0.00 C ATOM 974 C THR A 65 -1.195 -8.469 10.416 1.00 0.00 C ATOM 975 O THR A 65 -2.259 -8.180 9.872 1.00 0.00 O ATOM 976 CB THR A 65 -0.684 -6.993 12.362 1.00 0.00 C ATOM 977 OG1 THR A 65 0.088 -5.877 12.817 1.00 0.00 O ATOM 978 CG2 THR A 65 -0.505 -8.165 13.316 1.00 0.00 C ATOM 0 H THR A 65 -1.049 -5.589 10.179 1.00 0.00 H new ATOM 0 HA THR A 65 0.760 -7.763 10.955 1.00 0.00 H new ATOM 0 HB THR A 65 -1.739 -6.719 12.343 1.00 0.00 H new ATOM 0 HG1 THR A 65 1.000 -6.172 13.023 1.00 0.00 H new ATOM 0 HG21 THR A 65 -0.810 -7.867 14.319 1.00 0.00 H new ATOM 0 HG22 THR A 65 -1.119 -9.002 12.983 1.00 0.00 H new ATOM 0 HG23 THR A 65 0.542 -8.466 13.330 1.00 0.00 H new ATOM 986 N GLY A 66 -0.789 -9.723 10.590 1.00 0.00 N ATOM 987 CA GLY A 66 -1.601 -10.836 10.136 1.00 0.00 C ATOM 988 C GLY A 66 -0.781 -12.085 9.878 1.00 0.00 C ATOM 989 O GLY A 66 0.444 -12.071 10.006 1.00 0.00 O ATOM 0 H GLY A 66 0.088 -9.988 11.038 1.00 0.00 H new ATOM 0 HA2 GLY A 66 -2.364 -11.054 10.884 1.00 0.00 H new ATOM 0 HA3 GLY A 66 -2.122 -10.552 9.222 1.00 0.00 H new ATOM 993 N LEU A 67 -1.457 -13.170 9.515 1.00 0.00 N ATOM 994 CA LEU A 67 -0.783 -14.434 9.239 1.00 0.00 C ATOM 995 C LEU A 67 0.056 -14.339 7.969 1.00 0.00 C ATOM 996 O LEU A 67 -0.390 -13.795 6.959 1.00 0.00 O ATOM 997 CB LEU A 67 -1.809 -15.561 9.104 1.00 0.00 C ATOM 998 CG LEU A 67 -2.493 -16.005 10.398 1.00 0.00 C ATOM 999 CD1 LEU A 67 -3.513 -17.097 10.115 1.00 0.00 C ATOM 1000 CD2 LEU A 67 -1.463 -16.486 11.409 1.00 0.00 C ATOM 0 H LEU A 67 -2.471 -13.200 9.405 1.00 0.00 H new ATOM 0 HA LEU A 67 -0.118 -14.653 10.074 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -2.578 -15.242 8.401 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -1.313 -16.426 8.664 1.00 0.00 H new ATOM 0 HG LEU A 67 -3.016 -15.148 10.822 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -3.989 -17.400 11.047 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -4.269 -16.719 9.427 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -3.012 -17.955 9.667 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -1.968 -16.798 12.323 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -0.912 -17.329 10.993 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -0.770 -15.676 11.636 1.00 0.00 H new ATOM 1012 N ALA A 68 1.269 -14.875 8.027 1.00 0.00 N ATOM 1013 CA ALA A 68 2.169 -14.854 6.880 1.00 0.00 C ATOM 1014 C ALA A 68 1.401 -15.042 5.577 1.00 0.00 C ATOM 1015 O ALA A 68 1.681 -14.379 4.578 1.00 0.00 O ATOM 1016 CB ALA A 68 3.236 -15.930 7.026 1.00 0.00 C ATOM 0 H ALA A 68 1.652 -15.330 8.856 1.00 0.00 H new ATOM 0 HA ALA A 68 2.654 -13.879 6.848 1.00 0.00 H new ATOM 0 HB1 ALA A 68 3.901 -15.903 6.163 1.00 0.00 H new ATOM 0 HB2 ALA A 68 3.812 -15.750 7.934 1.00 0.00 H new ATOM 0 HB3 ALA A 68 2.760 -16.909 7.087 1.00 0.00 H new ATOM 1022 N ALA A 69 0.430 -15.951 5.592 1.00 0.00 N ATOM 1023 CA ALA A 69 -0.379 -16.224 4.411 1.00 0.00 C ATOM 1024 C ALA A 69 -1.189 -14.998 4.005 1.00 0.00 C ATOM 1025 O ALA A 69 -1.215 -14.618 2.836 1.00 0.00 O ATOM 1026 CB ALA A 69 -1.300 -17.408 4.666 1.00 0.00 C ATOM 0 H ALA A 69 0.185 -16.510 6.409 1.00 0.00 H new ATOM 0 HA ALA A 69 0.293 -16.471 3.589 1.00 0.00 H new ATOM 0 HB1 ALA A 69 -1.899 -17.601 3.776 1.00 0.00 H new ATOM 0 HB2 ALA A 69 -0.703 -18.289 4.900 1.00 0.00 H new ATOM 0 HB3 ALA A 69 -1.959 -17.183 5.505 1.00 0.00 H new ATOM 1032 N ASN A 70 -1.852 -14.384 4.980 1.00 0.00 N ATOM 1033 CA ASN A 70 -2.666 -13.200 4.723 1.00 0.00 C ATOM 1034 C ASN A 70 -1.793 -12.021 4.306 1.00 0.00 C ATOM 1035 O ASN A 70 -2.106 -11.311 3.348 1.00 0.00 O ATOM 1036 CB ASN A 70 -3.478 -12.834 5.967 1.00 0.00 C ATOM 1037 CG ASN A 70 -4.160 -14.038 6.587 1.00 0.00 C ATOM 1038 OD1 ASN A 70 -4.186 -15.121 6.002 1.00 0.00 O ATOM 1039 ND2 ASN A 70 -4.719 -13.853 7.778 1.00 0.00 N ATOM 0 H ASN A 70 -1.842 -14.686 5.954 1.00 0.00 H new ATOM 0 HA ASN A 70 -3.350 -13.430 3.906 1.00 0.00 H new ATOM 0 HB2 ASN A 70 -2.821 -12.373 6.704 1.00 0.00 H new ATOM 0 HB3 ASN A 70 -4.230 -12.091 5.701 1.00 0.00 H new ATOM 0 HD21 ASN A 70 -5.194 -14.626 8.244 1.00 0.00 H new ATOM 0 HD22 ASN A 70 -4.673 -12.938 8.226 1.00 0.00 H new ATOM 1046 N LEU A 71 -0.698 -11.817 5.029 1.00 0.00 N ATOM 1047 CA LEU A 71 0.221 -10.724 4.734 1.00 0.00 C ATOM 1048 C LEU A 71 0.612 -10.724 3.259 1.00 0.00 C ATOM 1049 O LEU A 71 0.701 -9.669 2.631 1.00 0.00 O ATOM 1050 CB LEU A 71 1.473 -10.835 5.605 1.00 0.00 C ATOM 1051 CG LEU A 71 1.235 -10.952 7.111 1.00 0.00 C ATOM 1052 CD1 LEU A 71 2.475 -11.490 7.808 1.00 0.00 C ATOM 1053 CD2 LEU A 71 0.836 -9.605 7.694 1.00 0.00 C ATOM 0 H LEU A 71 -0.425 -12.394 5.824 1.00 0.00 H new ATOM 0 HA LEU A 71 -0.287 -9.785 4.956 1.00 0.00 H new ATOM 0 HB2 LEU A 71 2.042 -11.705 5.279 1.00 0.00 H new ATOM 0 HB3 LEU A 71 2.097 -9.960 5.423 1.00 0.00 H new ATOM 0 HG LEU A 71 0.417 -11.654 7.276 1.00 0.00 H new ATOM 0 HD11 LEU A 71 2.286 -11.566 8.879 1.00 0.00 H new ATOM 0 HD12 LEU A 71 2.717 -12.476 7.411 1.00 0.00 H new ATOM 0 HD13 LEU A 71 3.312 -10.814 7.634 1.00 0.00 H new ATOM 0 HD21 LEU A 71 0.671 -9.707 8.767 1.00 0.00 H new ATOM 0 HD22 LEU A 71 1.632 -8.882 7.517 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -0.081 -9.259 7.217 1.00 0.00 H new ATOM 1065 N ASP A 72 0.842 -11.913 2.714 1.00 0.00 N ATOM 1066 CA ASP A 72 1.219 -12.051 1.312 1.00 0.00 C ATOM 1067 C ASP A 72 0.145 -11.467 0.400 1.00 0.00 C ATOM 1068 O ASP A 72 0.439 -10.670 -0.491 1.00 0.00 O ATOM 1069 CB ASP A 72 1.454 -13.522 0.967 1.00 0.00 C ATOM 1070 CG ASP A 72 2.891 -13.948 1.194 1.00 0.00 C ATOM 1071 OD1 ASP A 72 3.228 -14.313 2.340 1.00 0.00 O ATOM 1072 OD2 ASP A 72 3.679 -13.917 0.225 1.00 0.00 O ATOM 0 H ASP A 72 0.774 -12.795 3.221 1.00 0.00 H new ATOM 0 HA ASP A 72 2.144 -11.497 1.154 1.00 0.00 H new ATOM 0 HB2 ASP A 72 0.794 -14.144 1.572 1.00 0.00 H new ATOM 0 HB3 ASP A 72 1.187 -13.695 -0.076 1.00 0.00 H new ATOM 1077 N ARG A 73 -1.100 -11.871 0.627 1.00 0.00 N ATOM 1078 CA ARG A 73 -2.218 -11.389 -0.176 1.00 0.00 C ATOM 1079 C ARG A 73 -2.420 -9.889 0.016 1.00 0.00 C ATOM 1080 O ARG A 73 -2.420 -9.124 -0.948 1.00 0.00 O ATOM 1081 CB ARG A 73 -3.500 -12.138 0.195 1.00 0.00 C ATOM 1082 CG ARG A 73 -3.257 -13.559 0.678 1.00 0.00 C ATOM 1083 CD ARG A 73 -4.433 -14.466 0.350 1.00 0.00 C ATOM 1084 NE ARG A 73 -5.611 -14.146 1.152 1.00 0.00 N ATOM 1085 CZ ARG A 73 -6.593 -15.008 1.391 1.00 0.00 C ATOM 1086 NH1 ARG A 73 -6.539 -16.235 0.893 1.00 0.00 N ATOM 1087 NH2 ARG A 73 -7.634 -14.641 2.129 1.00 0.00 N ATOM 0 H ARG A 73 -1.360 -12.531 1.360 1.00 0.00 H new ATOM 0 HA ARG A 73 -1.986 -11.575 -1.225 1.00 0.00 H new ATOM 0 HB2 ARG A 73 -4.023 -11.583 0.974 1.00 0.00 H new ATOM 0 HB3 ARG A 73 -4.159 -12.166 -0.673 1.00 0.00 H new ATOM 0 HG2 ARG A 73 -2.352 -13.952 0.215 1.00 0.00 H new ATOM 0 HG3 ARG A 73 -3.088 -13.555 1.755 1.00 0.00 H new ATOM 0 HD2 ARG A 73 -4.678 -14.373 -0.708 1.00 0.00 H new ATOM 0 HD3 ARG A 73 -4.149 -15.504 0.521 1.00 0.00 H new ATOM 0 HE ARG A 73 -5.684 -13.210 1.550 1.00 0.00 H new ATOM 0 HH11 ARG A 73 -5.742 -16.520 0.324 1.00 0.00 H new ATOM 0 HH12 ARG A 73 -7.295 -16.894 1.078 1.00 0.00 H new ATOM 0 HH21 ARG A 73 -7.680 -13.697 2.513 1.00 0.00 H new ATOM 0 HH22 ARG A 73 -8.388 -15.303 2.312 1.00 0.00 H new ATOM 1101 N ALA A 74 -2.591 -9.476 1.267 1.00 0.00 N ATOM 1102 CA ALA A 74 -2.792 -8.067 1.586 1.00 0.00 C ATOM 1103 C ALA A 74 -1.686 -7.206 0.985 1.00 0.00 C ATOM 1104 O ALA A 74 -1.946 -6.332 0.158 1.00 0.00 O ATOM 1105 CB ALA A 74 -2.856 -7.871 3.093 1.00 0.00 C ATOM 0 H ALA A 74 -2.594 -10.096 2.077 1.00 0.00 H new ATOM 0 HA ALA A 74 -3.740 -7.752 1.150 1.00 0.00 H new ATOM 0 HB1 ALA A 74 -3.006 -6.815 3.316 1.00 0.00 H new ATOM 0 HB2 ALA A 74 -3.685 -8.450 3.500 1.00 0.00 H new ATOM 0 HB3 ALA A 74 -1.922 -8.208 3.544 1.00 0.00 H new ATOM 1111 N LYS A 75 -0.452 -7.456 1.409 1.00 0.00 N ATOM 1112 CA LYS A 75 0.695 -6.705 0.912 1.00 0.00 C ATOM 1113 C LYS A 75 0.634 -6.558 -0.605 1.00 0.00 C ATOM 1114 O LYS A 75 0.935 -5.495 -1.148 1.00 0.00 O ATOM 1115 CB LYS A 75 1.998 -7.396 1.317 1.00 0.00 C ATOM 1116 CG LYS A 75 3.223 -6.504 1.199 1.00 0.00 C ATOM 1117 CD LYS A 75 4.503 -7.279 1.461 1.00 0.00 C ATOM 1118 CE LYS A 75 5.724 -6.526 0.953 1.00 0.00 C ATOM 1119 NZ LYS A 75 6.927 -7.399 0.886 1.00 0.00 N ATOM 0 H LYS A 75 -0.220 -8.173 2.096 1.00 0.00 H new ATOM 0 HA LYS A 75 0.666 -5.710 1.357 1.00 0.00 H new ATOM 0 HB2 LYS A 75 1.910 -7.744 2.346 1.00 0.00 H new ATOM 0 HB3 LYS A 75 2.140 -8.279 0.693 1.00 0.00 H new ATOM 0 HG2 LYS A 75 3.260 -6.065 0.202 1.00 0.00 H new ATOM 0 HG3 LYS A 75 3.144 -5.680 1.908 1.00 0.00 H new ATOM 0 HD2 LYS A 75 4.606 -7.462 2.530 1.00 0.00 H new ATOM 0 HD3 LYS A 75 4.446 -8.253 0.975 1.00 0.00 H new ATOM 0 HE2 LYS A 75 5.514 -6.120 -0.037 1.00 0.00 H new ATOM 0 HE3 LYS A 75 5.926 -5.679 1.608 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 7.737 -6.848 0.535 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 7.143 -7.766 1.835 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 6.744 -8.194 0.241 1.00 0.00 H new ATOM 1133 N ALA A 76 0.243 -7.632 -1.283 1.00 0.00 N ATOM 1134 CA ALA A 76 0.140 -7.621 -2.737 1.00 0.00 C ATOM 1135 C ALA A 76 -0.815 -6.530 -3.212 1.00 0.00 C ATOM 1136 O ALA A 76 -0.558 -5.857 -4.209 1.00 0.00 O ATOM 1137 CB ALA A 76 -0.316 -8.980 -3.245 1.00 0.00 C ATOM 0 H ALA A 76 -0.008 -8.520 -0.849 1.00 0.00 H new ATOM 0 HA ALA A 76 1.128 -7.406 -3.144 1.00 0.00 H new ATOM 0 HB1 ALA A 76 -0.388 -8.956 -4.332 1.00 0.00 H new ATOM 0 HB2 ALA A 76 0.405 -9.741 -2.946 1.00 0.00 H new ATOM 0 HB3 ALA A 76 -1.292 -9.218 -2.822 1.00 0.00 H new ATOM 1143 N GLY A 77 -1.918 -6.360 -2.489 1.00 0.00 N ATOM 1144 CA GLY A 77 -2.895 -5.351 -2.854 1.00 0.00 C ATOM 1145 C GLY A 77 -2.372 -3.941 -2.655 1.00 0.00 C ATOM 1146 O GLY A 77 -2.513 -3.089 -3.534 1.00 0.00 O ATOM 0 H GLY A 77 -2.152 -6.903 -1.658 1.00 0.00 H new ATOM 0 HA2 GLY A 77 -3.180 -5.486 -3.897 1.00 0.00 H new ATOM 0 HA3 GLY A 77 -3.796 -5.489 -2.257 1.00 0.00 H new ATOM 1150 N LEU A 78 -1.771 -3.692 -1.497 1.00 0.00 N ATOM 1151 CA LEU A 78 -1.227 -2.376 -1.185 1.00 0.00 C ATOM 1152 C LEU A 78 -0.190 -1.954 -2.221 1.00 0.00 C ATOM 1153 O LEU A 78 -0.311 -0.898 -2.841 1.00 0.00 O ATOM 1154 CB LEU A 78 -0.599 -2.379 0.211 1.00 0.00 C ATOM 1155 CG LEU A 78 -0.292 -1.007 0.812 1.00 0.00 C ATOM 1156 CD1 LEU A 78 -1.577 -0.235 1.063 1.00 0.00 C ATOM 1157 CD2 LEU A 78 0.504 -1.156 2.100 1.00 0.00 C ATOM 0 H LEU A 78 -1.648 -4.385 -0.758 1.00 0.00 H new ATOM 0 HA LEU A 78 -2.047 -1.658 -1.206 1.00 0.00 H new ATOM 0 HB2 LEU A 78 -1.270 -2.908 0.888 1.00 0.00 H new ATOM 0 HB3 LEU A 78 0.328 -2.951 0.169 1.00 0.00 H new ATOM 0 HG LEU A 78 0.311 -0.445 0.099 1.00 0.00 H new ATOM 0 HD11 LEU A 78 -1.339 0.739 1.491 1.00 0.00 H new ATOM 0 HD12 LEU A 78 -2.109 -0.097 0.121 1.00 0.00 H new ATOM 0 HD13 LEU A 78 -2.206 -0.792 1.757 1.00 0.00 H new ATOM 0 HD21 LEU A 78 0.714 -0.170 2.514 1.00 0.00 H new ATOM 0 HD22 LEU A 78 -0.073 -1.736 2.820 1.00 0.00 H new ATOM 0 HD23 LEU A 78 1.443 -1.669 1.890 1.00 0.00 H new ATOM 1169 N LEU A 79 0.828 -2.789 -2.404 1.00 0.00 N ATOM 1170 CA LEU A 79 1.886 -2.504 -3.368 1.00 0.00 C ATOM 1171 C LEU A 79 1.299 -2.109 -4.718 1.00 0.00 C ATOM 1172 O LEU A 79 1.745 -1.143 -5.340 1.00 0.00 O ATOM 1173 CB LEU A 79 2.795 -3.724 -3.531 1.00 0.00 C ATOM 1174 CG LEU A 79 3.756 -4.004 -2.375 1.00 0.00 C ATOM 1175 CD1 LEU A 79 4.457 -5.339 -2.575 1.00 0.00 C ATOM 1176 CD2 LEU A 79 4.772 -2.880 -2.242 1.00 0.00 C ATOM 0 H LEU A 79 0.943 -3.667 -1.898 1.00 0.00 H new ATOM 0 HA LEU A 79 2.474 -1.668 -2.990 1.00 0.00 H new ATOM 0 HB2 LEU A 79 2.167 -4.603 -3.676 1.00 0.00 H new ATOM 0 HB3 LEU A 79 3.381 -3.597 -4.441 1.00 0.00 H new ATOM 0 HG LEU A 79 3.179 -4.055 -1.452 1.00 0.00 H new ATOM 0 HD11 LEU A 79 5.137 -5.521 -1.743 1.00 0.00 H new ATOM 0 HD12 LEU A 79 3.715 -6.136 -2.619 1.00 0.00 H new ATOM 0 HD13 LEU A 79 5.022 -5.317 -3.507 1.00 0.00 H new ATOM 0 HD21 LEU A 79 5.448 -3.096 -1.414 1.00 0.00 H new ATOM 0 HD22 LEU A 79 5.345 -2.796 -3.166 1.00 0.00 H new ATOM 0 HD23 LEU A 79 4.253 -1.941 -2.051 1.00 0.00 H new ATOM 1188 N GLU A 80 0.298 -2.859 -5.167 1.00 0.00 N ATOM 1189 CA GLU A 80 -0.349 -2.584 -6.445 1.00 0.00 C ATOM 1190 C GLU A 80 -1.064 -1.237 -6.413 1.00 0.00 C ATOM 1191 O GLU A 80 -1.098 -0.517 -7.412 1.00 0.00 O ATOM 1192 CB GLU A 80 -1.345 -3.695 -6.786 1.00 0.00 C ATOM 1193 CG GLU A 80 -0.689 -4.965 -7.299 1.00 0.00 C ATOM 1194 CD GLU A 80 -1.691 -5.948 -7.873 1.00 0.00 C ATOM 1195 OE1 GLU A 80 -2.339 -5.613 -8.886 1.00 0.00 O ATOM 1196 OE2 GLU A 80 -1.826 -7.054 -7.308 1.00 0.00 O ATOM 0 H GLU A 80 -0.083 -3.661 -4.665 1.00 0.00 H new ATOM 0 HA GLU A 80 0.422 -2.548 -7.214 1.00 0.00 H new ATOM 0 HB2 GLU A 80 -1.930 -3.932 -5.897 1.00 0.00 H new ATOM 0 HB3 GLU A 80 -2.043 -3.327 -7.538 1.00 0.00 H new ATOM 0 HG2 GLU A 80 0.042 -4.708 -8.065 1.00 0.00 H new ATOM 0 HG3 GLU A 80 -0.143 -5.442 -6.485 1.00 0.00 H new ATOM 1203 N ARG A 81 -1.633 -0.901 -5.260 1.00 0.00 N ATOM 1204 CA ARG A 81 -2.349 0.358 -5.099 1.00 0.00 C ATOM 1205 C ARG A 81 -1.397 1.545 -5.232 1.00 0.00 C ATOM 1206 O ARG A 81 -1.737 2.560 -5.839 1.00 0.00 O ATOM 1207 CB ARG A 81 -3.049 0.401 -3.740 1.00 0.00 C ATOM 1208 CG ARG A 81 -4.322 1.231 -3.737 1.00 0.00 C ATOM 1209 CD ARG A 81 -5.539 0.387 -4.085 1.00 0.00 C ATOM 1210 NE ARG A 81 -6.759 1.187 -4.150 1.00 0.00 N ATOM 1211 CZ ARG A 81 -7.943 0.693 -4.493 1.00 0.00 C ATOM 1212 NH1 ARG A 81 -8.066 -0.592 -4.799 1.00 0.00 N ATOM 1213 NH2 ARG A 81 -9.008 1.483 -4.529 1.00 0.00 N ATOM 0 H ARG A 81 -1.612 -1.484 -4.423 1.00 0.00 H new ATOM 0 HA ARG A 81 -3.099 0.425 -5.888 1.00 0.00 H new ATOM 0 HB2 ARG A 81 -3.288 -0.617 -3.432 1.00 0.00 H new ATOM 0 HB3 ARG A 81 -2.360 0.805 -2.998 1.00 0.00 H new ATOM 0 HG2 ARG A 81 -4.460 1.683 -2.755 1.00 0.00 H new ATOM 0 HG3 ARG A 81 -4.227 2.047 -4.453 1.00 0.00 H new ATOM 0 HD2 ARG A 81 -5.377 -0.105 -5.044 1.00 0.00 H new ATOM 0 HD3 ARG A 81 -5.660 -0.399 -3.340 1.00 0.00 H new ATOM 0 HE ARG A 81 -6.698 2.179 -3.919 1.00 0.00 H new ATOM 0 HH11 ARG A 81 -7.250 -1.203 -4.771 1.00 0.00 H new ATOM 0 HH12 ARG A 81 -8.977 -0.969 -5.062 1.00 0.00 H new ATOM 0 HH21 ARG A 81 -8.918 2.471 -4.293 1.00 0.00 H new ATOM 0 HH22 ARG A 81 -9.917 1.102 -4.793 1.00 0.00 H new ATOM 1227 N VAL A 82 -0.206 1.407 -4.659 1.00 0.00 N ATOM 1228 CA VAL A 82 0.794 2.466 -4.713 1.00 0.00 C ATOM 1229 C VAL A 82 1.336 2.640 -6.128 1.00 0.00 C ATOM 1230 O VAL A 82 1.461 3.759 -6.624 1.00 0.00 O ATOM 1231 CB VAL A 82 1.968 2.179 -3.758 1.00 0.00 C ATOM 1232 CG1 VAL A 82 3.144 3.092 -4.067 1.00 0.00 C ATOM 1233 CG2 VAL A 82 1.526 2.337 -2.310 1.00 0.00 C ATOM 0 H VAL A 82 0.090 0.573 -4.152 1.00 0.00 H new ATOM 0 HA VAL A 82 0.298 3.385 -4.402 1.00 0.00 H new ATOM 0 HB VAL A 82 2.291 1.149 -3.906 1.00 0.00 H new ATOM 0 HG11 VAL A 82 3.963 2.874 -3.382 1.00 0.00 H new ATOM 0 HG12 VAL A 82 3.474 2.926 -5.092 1.00 0.00 H new ATOM 0 HG13 VAL A 82 2.839 4.132 -3.948 1.00 0.00 H new ATOM 0 HG21 VAL A 82 2.367 2.131 -1.648 1.00 0.00 H new ATOM 0 HG22 VAL A 82 1.176 3.356 -2.145 1.00 0.00 H new ATOM 0 HG23 VAL A 82 0.718 1.637 -2.098 1.00 0.00 H new ATOM 1243 N LYS A 83 1.655 1.523 -6.773 1.00 0.00 N ATOM 1244 CA LYS A 83 2.181 1.549 -8.133 1.00 0.00 C ATOM 1245 C LYS A 83 1.144 2.096 -9.108 1.00 0.00 C ATOM 1246 O LYS A 83 1.491 2.713 -10.115 1.00 0.00 O ATOM 1247 CB LYS A 83 2.609 0.144 -8.563 1.00 0.00 C ATOM 1248 CG LYS A 83 3.799 -0.395 -7.787 1.00 0.00 C ATOM 1249 CD LYS A 83 3.931 -1.900 -7.942 1.00 0.00 C ATOM 1250 CE LYS A 83 4.931 -2.477 -6.952 1.00 0.00 C ATOM 1251 NZ LYS A 83 5.263 -3.895 -7.262 1.00 0.00 N ATOM 0 H LYS A 83 1.559 0.588 -6.376 1.00 0.00 H new ATOM 0 HA LYS A 83 3.049 2.208 -8.147 1.00 0.00 H new ATOM 0 HB2 LYS A 83 1.767 -0.537 -8.439 1.00 0.00 H new ATOM 0 HB3 LYS A 83 2.855 0.157 -9.625 1.00 0.00 H new ATOM 0 HG2 LYS A 83 4.711 0.089 -8.136 1.00 0.00 H new ATOM 0 HG3 LYS A 83 3.689 -0.145 -6.732 1.00 0.00 H new ATOM 0 HD2 LYS A 83 2.958 -2.369 -7.793 1.00 0.00 H new ATOM 0 HD3 LYS A 83 4.246 -2.136 -8.958 1.00 0.00 H new ATOM 0 HE2 LYS A 83 5.842 -1.879 -6.966 1.00 0.00 H new ATOM 0 HE3 LYS A 83 4.523 -2.412 -5.944 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 5.947 -4.252 -6.565 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 4.398 -4.471 -7.224 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 5.676 -3.955 -8.214 1.00 0.00 H new ATOM 1265 N GLU A 84 -0.129 1.869 -8.800 1.00 0.00 N ATOM 1266 CA GLU A 84 -1.215 2.342 -9.650 1.00 0.00 C ATOM 1267 C GLU A 84 -1.584 3.783 -9.311 1.00 0.00 C ATOM 1268 O GLU A 84 -1.894 4.582 -10.197 1.00 0.00 O ATOM 1269 CB GLU A 84 -2.442 1.441 -9.496 1.00 0.00 C ATOM 1270 CG GLU A 84 -3.337 1.414 -10.723 1.00 0.00 C ATOM 1271 CD GLU A 84 -3.732 2.804 -11.187 1.00 0.00 C ATOM 1272 OE1 GLU A 84 -4.122 3.626 -10.332 1.00 0.00 O ATOM 1273 OE2 GLU A 84 -3.651 3.067 -12.405 1.00 0.00 O ATOM 0 H GLU A 84 -0.433 1.361 -7.969 1.00 0.00 H new ATOM 0 HA GLU A 84 -0.874 2.306 -10.685 1.00 0.00 H new ATOM 0 HB2 GLU A 84 -2.111 0.426 -9.276 1.00 0.00 H new ATOM 0 HB3 GLU A 84 -3.025 1.779 -8.639 1.00 0.00 H new ATOM 0 HG2 GLU A 84 -2.822 0.897 -11.533 1.00 0.00 H new ATOM 0 HG3 GLU A 84 -4.236 0.840 -10.500 1.00 0.00 H new ATOM 1280 N LEU A 85 -1.549 4.109 -8.024 1.00 0.00 N ATOM 1281 CA LEU A 85 -1.879 5.455 -7.566 1.00 0.00 C ATOM 1282 C LEU A 85 -0.787 6.446 -7.955 1.00 0.00 C ATOM 1283 O LEU A 85 -1.063 7.481 -8.561 1.00 0.00 O ATOM 1284 CB LEU A 85 -2.076 5.464 -6.050 1.00 0.00 C ATOM 1285 CG LEU A 85 -3.371 4.832 -5.536 1.00 0.00 C ATOM 1286 CD1 LEU A 85 -3.275 4.554 -4.044 1.00 0.00 C ATOM 1287 CD2 LEU A 85 -4.560 5.733 -5.837 1.00 0.00 C ATOM 0 H LEU A 85 -1.296 3.460 -7.279 1.00 0.00 H new ATOM 0 HA LEU A 85 -2.808 5.759 -8.049 1.00 0.00 H new ATOM 0 HB2 LEU A 85 -1.235 4.944 -5.592 1.00 0.00 H new ATOM 0 HB3 LEU A 85 -2.038 6.497 -5.705 1.00 0.00 H new ATOM 0 HG LEU A 85 -3.519 3.883 -6.052 1.00 0.00 H new ATOM 0 HD11 LEU A 85 -4.205 4.105 -3.697 1.00 0.00 H new ATOM 0 HD12 LEU A 85 -2.448 3.869 -3.854 1.00 0.00 H new ATOM 0 HD13 LEU A 85 -3.102 5.488 -3.510 1.00 0.00 H new ATOM 0 HD21 LEU A 85 -5.473 5.268 -5.464 1.00 0.00 H new ATOM 0 HD22 LEU A 85 -4.419 6.697 -5.349 1.00 0.00 H new ATOM 0 HD23 LEU A 85 -4.641 5.880 -6.914 1.00 0.00 H new