USER MOD reduce.3.24.130724 H: found=0, std=0, add=537, rem=0, adj=7 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 -70:sc= 0.0163 USER MOD Set 1.2: A 65 THR OG1 : rot 180:sc= 0.0166 USER MOD Single : A 28 HIS : no HE2:sc= -1.76 K(o=-1.8,f=-4.1) 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 -119:sc= -0.799 (180deg=-2.06) USER MOD Single : A 43 MET CE :methyl 167:sc= -0.12 (180deg=-0.67) USER MOD Single : A 49 ASN : amide:sc= 0 X(o=0,f=0) 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= -0.408 K(o=-0.41,f=-2.1) 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 -0.015 -17.559 15.734 1.00 0.00 N ATOM 177 CA VAL A 15 0.073 -16.131 16.016 1.00 0.00 C ATOM 178 C VAL A 15 0.516 -15.352 14.784 1.00 0.00 C ATOM 179 O VAL A 15 1.419 -15.761 14.052 1.00 0.00 O ATOM 180 CB VAL A 15 1.053 -15.847 17.170 1.00 0.00 C ATOM 181 CG1 VAL A 15 2.448 -16.341 16.819 1.00 0.00 C ATOM 182 CG2 VAL A 15 1.072 -14.362 17.499 1.00 0.00 C ATOM 0 HA VAL A 15 -0.925 -15.804 16.307 1.00 0.00 H new ATOM 0 HB VAL A 15 0.713 -16.387 18.054 1.00 0.00 H new ATOM 0 HG11 VAL A 15 3.127 -16.132 17.646 1.00 0.00 H new ATOM 0 HG12 VAL A 15 2.418 -17.415 16.637 1.00 0.00 H new ATOM 0 HG13 VAL A 15 2.800 -15.830 15.923 1.00 0.00 H new ATOM 0 HG21 VAL A 15 1.770 -14.179 18.316 1.00 0.00 H new ATOM 0 HG22 VAL A 15 1.387 -13.799 16.621 1.00 0.00 H new ATOM 0 HG23 VAL A 15 0.073 -14.042 17.796 1.00 0.00 H new ATOM 192 N PRO A 16 -0.131 -14.202 14.545 1.00 0.00 N ATOM 193 CA PRO A 16 0.182 -13.340 13.401 1.00 0.00 C ATOM 194 C PRO A 16 1.539 -12.661 13.540 1.00 0.00 C ATOM 195 O PRO A 16 2.241 -12.851 14.534 1.00 0.00 O ATOM 196 CB PRO A 16 -0.942 -12.300 13.424 1.00 0.00 C ATOM 197 CG PRO A 16 -1.389 -12.257 14.844 1.00 0.00 C ATOM 198 CD PRO A 16 -1.216 -13.653 15.376 1.00 0.00 C ATOM 0 HA PRO A 16 0.242 -13.904 12.470 1.00 0.00 H new ATOM 0 HB2 PRO A 16 -0.586 -11.325 13.091 1.00 0.00 H new ATOM 0 HB3 PRO A 16 -1.758 -12.585 12.760 1.00 0.00 H new ATOM 0 HG2 PRO A 16 -0.797 -11.545 15.418 1.00 0.00 H new ATOM 0 HG3 PRO A 16 -2.429 -11.938 14.916 1.00 0.00 H new ATOM 0 HD2 PRO A 16 -0.951 -13.650 16.433 1.00 0.00 H new ATOM 0 HD3 PRO A 16 -2.131 -14.237 15.279 1.00 0.00 H new ATOM 206 N VAL A 17 1.905 -11.868 12.538 1.00 0.00 N ATOM 207 CA VAL A 17 3.179 -11.160 12.549 1.00 0.00 C ATOM 208 C VAL A 17 3.056 -9.798 11.875 1.00 0.00 C ATOM 209 O VAL A 17 2.163 -9.575 11.056 1.00 0.00 O ATOM 210 CB VAL A 17 4.280 -11.973 11.841 1.00 0.00 C ATOM 211 CG1 VAL A 17 4.758 -13.111 12.731 1.00 0.00 C ATOM 212 CG2 VAL A 17 3.776 -12.503 10.507 1.00 0.00 C ATOM 0 H VAL A 17 1.337 -11.700 11.708 1.00 0.00 H new ATOM 0 HA VAL A 17 3.455 -11.022 13.594 1.00 0.00 H new ATOM 0 HB VAL A 17 5.127 -11.315 11.647 1.00 0.00 H new ATOM 0 HG11 VAL A 17 5.535 -13.675 12.215 1.00 0.00 H new ATOM 0 HG12 VAL A 17 5.160 -12.703 13.658 1.00 0.00 H new ATOM 0 HG13 VAL A 17 3.921 -13.772 12.958 1.00 0.00 H new ATOM 0 HG21 VAL A 17 4.566 -13.075 10.021 1.00 0.00 H new ATOM 0 HG22 VAL A 17 2.913 -13.147 10.674 1.00 0.00 H new ATOM 0 HG23 VAL A 17 3.487 -11.668 9.869 1.00 0.00 H new ATOM 222 N THR A 18 3.959 -8.886 12.224 1.00 0.00 N ATOM 223 CA THR A 18 3.953 -7.546 11.654 1.00 0.00 C ATOM 224 C THR A 18 5.009 -7.406 10.563 1.00 0.00 C ATOM 225 O THR A 18 6.178 -7.736 10.773 1.00 0.00 O ATOM 226 CB THR A 18 4.199 -6.475 12.733 1.00 0.00 C ATOM 227 OG1 THR A 18 3.301 -6.669 13.830 1.00 0.00 O ATOM 228 CG2 THR A 18 4.015 -5.078 12.161 1.00 0.00 C ATOM 0 H THR A 18 4.704 -9.053 12.900 1.00 0.00 H new ATOM 0 HA THR A 18 2.965 -7.393 11.220 1.00 0.00 H new ATOM 0 HB THR A 18 5.226 -6.574 13.084 1.00 0.00 H new ATOM 0 HG1 THR A 18 2.390 -6.436 13.553 1.00 0.00 H new ATOM 0 HG21 THR A 18 4.194 -4.339 12.942 1.00 0.00 H new ATOM 0 HG22 THR A 18 4.721 -4.923 11.345 1.00 0.00 H new ATOM 0 HG23 THR A 18 2.998 -4.970 11.785 1.00 0.00 H new ATOM 236 N ILE A 19 4.592 -6.916 9.401 1.00 0.00 N ATOM 237 CA ILE A 19 5.505 -6.731 8.280 1.00 0.00 C ATOM 238 C ILE A 19 5.722 -5.251 7.985 1.00 0.00 C ATOM 239 O ILE A 19 5.226 -4.386 8.706 1.00 0.00 O ATOM 240 CB ILE A 19 4.981 -7.424 7.008 1.00 0.00 C ATOM 241 CG1 ILE A 19 3.562 -6.948 6.689 1.00 0.00 C ATOM 242 CG2 ILE A 19 5.014 -8.936 7.176 1.00 0.00 C ATOM 243 CD1 ILE A 19 3.111 -7.290 5.286 1.00 0.00 C ATOM 0 H ILE A 19 3.629 -6.640 9.211 1.00 0.00 H new ATOM 0 HA ILE A 19 6.454 -7.184 8.568 1.00 0.00 H new ATOM 0 HB ILE A 19 5.629 -7.157 6.173 1.00 0.00 H new ATOM 0 HG12 ILE A 19 2.869 -7.393 7.403 1.00 0.00 H new ATOM 0 HG13 ILE A 19 3.511 -5.868 6.825 1.00 0.00 H new ATOM 0 HG21 ILE A 19 4.641 -9.411 6.269 1.00 0.00 H new ATOM 0 HG22 ILE A 19 6.039 -9.259 7.360 1.00 0.00 H new ATOM 0 HG23 ILE A 19 4.386 -9.222 8.020 1.00 0.00 H new ATOM 0 HD11 ILE A 19 2.097 -6.922 5.130 1.00 0.00 H new ATOM 0 HD12 ILE A 19 3.781 -6.823 4.564 1.00 0.00 H new ATOM 0 HD13 ILE A 19 3.130 -8.371 5.151 1.00 0.00 H new ATOM 255 N GLU A 20 6.468 -4.968 6.921 1.00 0.00 N ATOM 256 CA GLU A 20 6.749 -3.591 6.532 1.00 0.00 C ATOM 257 C GLU A 20 6.670 -3.427 5.017 1.00 0.00 C ATOM 258 O GLU A 20 7.266 -4.199 4.266 1.00 0.00 O ATOM 259 CB GLU A 20 8.134 -3.170 7.030 1.00 0.00 C ATOM 260 CG GLU A 20 8.120 -2.554 8.418 1.00 0.00 C ATOM 261 CD GLU A 20 9.502 -2.141 8.887 1.00 0.00 C ATOM 262 OE1 GLU A 20 10.457 -2.913 8.665 1.00 0.00 O ATOM 263 OE2 GLU A 20 9.628 -1.047 9.476 1.00 0.00 O ATOM 0 H GLU A 20 6.888 -5.673 6.314 1.00 0.00 H new ATOM 0 HA GLU A 20 5.995 -2.950 6.989 1.00 0.00 H new ATOM 0 HB2 GLU A 20 8.789 -4.041 7.035 1.00 0.00 H new ATOM 0 HB3 GLU A 20 8.561 -2.454 6.328 1.00 0.00 H new ATOM 0 HG2 GLU A 20 7.465 -1.683 8.418 1.00 0.00 H new ATOM 0 HG3 GLU A 20 7.699 -3.269 9.125 1.00 0.00 H new ATOM 270 N VAL A 21 5.929 -2.416 4.575 1.00 0.00 N ATOM 271 CA VAL A 21 5.770 -2.149 3.150 1.00 0.00 C ATOM 272 C VAL A 21 6.288 -0.762 2.790 1.00 0.00 C ATOM 273 O VAL A 21 6.241 0.159 3.605 1.00 0.00 O ATOM 274 CB VAL A 21 4.297 -2.263 2.718 1.00 0.00 C ATOM 275 CG1 VAL A 21 4.192 -2.401 1.207 1.00 0.00 C ATOM 276 CG2 VAL A 21 3.626 -3.438 3.415 1.00 0.00 C ATOM 0 H VAL A 21 5.429 -1.768 5.183 1.00 0.00 H new ATOM 0 HA VAL A 21 6.355 -2.901 2.620 1.00 0.00 H new ATOM 0 HB VAL A 21 3.780 -1.350 3.013 1.00 0.00 H new ATOM 0 HG11 VAL A 21 3.143 -2.480 0.921 1.00 0.00 H new ATOM 0 HG12 VAL A 21 4.633 -1.526 0.730 1.00 0.00 H new ATOM 0 HG13 VAL A 21 4.724 -3.296 0.886 1.00 0.00 H new ATOM 0 HG21 VAL A 21 2.585 -3.503 3.098 1.00 0.00 H new ATOM 0 HG22 VAL A 21 4.144 -4.361 3.153 1.00 0.00 H new ATOM 0 HG23 VAL A 21 3.668 -3.293 4.494 1.00 0.00 H new ATOM 286 N GLU A 22 6.782 -0.620 1.564 1.00 0.00 N ATOM 287 CA GLU A 22 7.308 0.657 1.096 1.00 0.00 C ATOM 288 C GLU A 22 6.218 1.480 0.417 1.00 0.00 C ATOM 289 O GLU A 22 5.782 1.161 -0.690 1.00 0.00 O ATOM 290 CB GLU A 22 8.470 0.430 0.127 1.00 0.00 C ATOM 291 CG GLU A 22 9.776 0.067 0.814 1.00 0.00 C ATOM 292 CD GLU A 22 10.756 -0.616 -0.117 1.00 0.00 C ATOM 293 OE1 GLU A 22 10.523 -1.794 -0.463 1.00 0.00 O ATOM 294 OE2 GLU A 22 11.757 0.024 -0.502 1.00 0.00 O ATOM 0 H GLU A 22 6.829 -1.373 0.877 1.00 0.00 H new ATOM 0 HA GLU A 22 7.669 1.211 1.962 1.00 0.00 H new ATOM 0 HB2 GLU A 22 8.202 -0.366 -0.568 1.00 0.00 H new ATOM 0 HB3 GLU A 22 8.620 1.333 -0.465 1.00 0.00 H new ATOM 0 HG2 GLU A 22 10.233 0.971 1.217 1.00 0.00 H new ATOM 0 HG3 GLU A 22 9.567 -0.589 1.659 1.00 0.00 H new ATOM 301 N VAL A 23 5.781 2.541 1.088 1.00 0.00 N ATOM 302 CA VAL A 23 4.741 3.411 0.550 1.00 0.00 C ATOM 303 C VAL A 23 4.948 4.853 0.996 1.00 0.00 C ATOM 304 O VAL A 23 5.179 5.139 2.172 1.00 0.00 O ATOM 305 CB VAL A 23 3.339 2.945 0.985 1.00 0.00 C ATOM 306 CG1 VAL A 23 2.277 3.916 0.492 1.00 0.00 C ATOM 307 CG2 VAL A 23 3.063 1.538 0.478 1.00 0.00 C ATOM 0 H VAL A 23 6.131 2.819 2.005 1.00 0.00 H new ATOM 0 HA VAL A 23 4.812 3.356 -0.536 1.00 0.00 H new ATOM 0 HB VAL A 23 3.303 2.927 2.074 1.00 0.00 H new ATOM 0 HG11 VAL A 23 1.293 3.570 0.809 1.00 0.00 H new ATOM 0 HG12 VAL A 23 2.466 4.905 0.910 1.00 0.00 H new ATOM 0 HG13 VAL A 23 2.310 3.969 -0.596 1.00 0.00 H new ATOM 0 HG21 VAL A 23 2.068 1.226 0.795 1.00 0.00 H new ATOM 0 HG22 VAL A 23 3.117 1.526 -0.611 1.00 0.00 H new ATOM 0 HG23 VAL A 23 3.806 0.852 0.886 1.00 0.00 H new ATOM 317 N PRO A 24 4.861 5.788 0.038 1.00 0.00 N ATOM 318 CA PRO A 24 5.034 7.218 0.308 1.00 0.00 C ATOM 319 C PRO A 24 3.878 7.800 1.115 1.00 0.00 C ATOM 320 O PRO A 24 2.711 7.531 0.827 1.00 0.00 O ATOM 321 CB PRO A 24 5.077 7.840 -1.090 1.00 0.00 C ATOM 322 CG PRO A 24 4.325 6.886 -1.953 1.00 0.00 C ATOM 323 CD PRO A 24 4.587 5.519 -1.384 1.00 0.00 C ATOM 0 HA PRO A 24 5.924 7.415 0.905 1.00 0.00 H new ATOM 0 HB2 PRO A 24 4.617 8.828 -1.098 1.00 0.00 H new ATOM 0 HB3 PRO A 24 6.103 7.963 -1.437 1.00 0.00 H new ATOM 0 HG2 PRO A 24 3.259 7.113 -1.949 1.00 0.00 H new ATOM 0 HG3 PRO A 24 4.660 6.949 -2.988 1.00 0.00 H new ATOM 0 HD2 PRO A 24 3.728 4.860 -1.510 1.00 0.00 H new ATOM 0 HD3 PRO A 24 5.434 5.036 -1.872 1.00 0.00 H new ATOM 331 N PHE A 25 4.209 8.597 2.124 1.00 0.00 N ATOM 332 CA PHE A 25 3.198 9.216 2.973 1.00 0.00 C ATOM 333 C PHE A 25 2.271 10.108 2.153 1.00 0.00 C ATOM 334 O PHE A 25 1.166 10.437 2.584 1.00 0.00 O ATOM 335 CB PHE A 25 3.862 10.035 4.082 1.00 0.00 C ATOM 336 CG PHE A 25 2.928 10.406 5.196 1.00 0.00 C ATOM 337 CD1 PHE A 25 1.984 11.406 5.022 1.00 0.00 C ATOM 338 CD2 PHE A 25 2.992 9.755 6.418 1.00 0.00 C ATOM 339 CE1 PHE A 25 1.122 11.751 6.046 1.00 0.00 C ATOM 340 CE2 PHE A 25 2.132 10.096 7.445 1.00 0.00 C ATOM 341 CZ PHE A 25 1.196 11.095 7.259 1.00 0.00 C ATOM 0 H PHE A 25 5.170 8.830 2.374 1.00 0.00 H new ATOM 0 HA PHE A 25 2.604 8.421 3.424 1.00 0.00 H new ATOM 0 HB2 PHE A 25 4.696 9.466 4.493 1.00 0.00 H new ATOM 0 HB3 PHE A 25 4.279 10.945 3.650 1.00 0.00 H new ATOM 0 HD1 PHE A 25 1.921 11.922 4.075 1.00 0.00 H new ATOM 0 HD2 PHE A 25 3.721 8.973 6.569 1.00 0.00 H new ATOM 0 HE1 PHE A 25 0.392 12.533 5.898 1.00 0.00 H new ATOM 0 HE2 PHE A 25 2.192 9.582 8.393 1.00 0.00 H new ATOM 0 HZ PHE A 25 0.523 11.362 8.061 1.00 0.00 H new ATOM 351 N ASP A 26 2.730 10.496 0.968 1.00 0.00 N ATOM 352 CA ASP A 26 1.942 11.349 0.085 1.00 0.00 C ATOM 353 C ASP A 26 0.726 10.601 -0.452 1.00 0.00 C ATOM 354 O ASP A 26 -0.177 11.202 -1.037 1.00 0.00 O ATOM 355 CB ASP A 26 2.803 11.849 -1.076 1.00 0.00 C ATOM 356 CG ASP A 26 3.852 12.849 -0.630 1.00 0.00 C ATOM 357 OD1 ASP A 26 4.927 12.413 -0.168 1.00 0.00 O ATOM 358 OD2 ASP A 26 3.599 14.067 -0.744 1.00 0.00 O ATOM 0 H ASP A 26 3.643 10.234 0.597 1.00 0.00 H new ATOM 0 HA ASP A 26 1.592 12.204 0.663 1.00 0.00 H new ATOM 0 HB2 ASP A 26 3.294 11.000 -1.552 1.00 0.00 H new ATOM 0 HB3 ASP A 26 2.162 12.310 -1.828 1.00 0.00 H new ATOM 363 N LEU A 27 0.709 9.289 -0.249 1.00 0.00 N ATOM 364 CA LEU A 27 -0.396 8.458 -0.715 1.00 0.00 C ATOM 365 C LEU A 27 -1.289 8.040 0.449 1.00 0.00 C ATOM 366 O LEU A 27 -2.493 7.840 0.281 1.00 0.00 O ATOM 367 CB LEU A 27 0.139 7.219 -1.433 1.00 0.00 C ATOM 368 CG LEU A 27 0.834 7.466 -2.772 1.00 0.00 C ATOM 369 CD1 LEU A 27 1.508 6.196 -3.267 1.00 0.00 C ATOM 370 CD2 LEU A 27 -0.160 7.981 -3.802 1.00 0.00 C ATOM 0 H LEU A 27 1.447 8.777 0.235 1.00 0.00 H new ATOM 0 HA LEU A 27 -0.991 9.045 -1.414 1.00 0.00 H new ATOM 0 HB2 LEU A 27 0.842 6.714 -0.770 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -0.692 6.533 -1.599 1.00 0.00 H new ATOM 0 HG LEU A 27 1.602 8.226 -2.626 1.00 0.00 H new ATOM 0 HD11 LEU A 27 1.997 6.392 -4.221 1.00 0.00 H new ATOM 0 HD12 LEU A 27 2.251 5.871 -2.539 1.00 0.00 H new ATOM 0 HD13 LEU A 27 0.760 5.414 -3.397 1.00 0.00 H new ATOM 0 HD21 LEU A 27 0.352 8.151 -4.749 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -0.951 7.244 -3.945 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -0.595 8.917 -3.452 1.00 0.00 H new ATOM 382 N HIS A 28 -0.693 7.909 1.629 1.00 0.00 N ATOM 383 CA HIS A 28 -1.435 7.517 2.823 1.00 0.00 C ATOM 384 C HIS A 28 -2.790 8.215 2.873 1.00 0.00 C ATOM 385 O HIS A 28 -3.826 7.570 3.042 1.00 0.00 O ATOM 386 CB HIS A 28 -0.631 7.848 4.081 1.00 0.00 C ATOM 387 CG HIS A 28 0.573 6.978 4.268 1.00 0.00 C ATOM 388 ND1 HIS A 28 1.462 7.138 5.309 1.00 0.00 N ATOM 389 CD2 HIS A 28 1.032 5.933 3.541 1.00 0.00 C ATOM 390 CE1 HIS A 28 2.418 6.231 5.214 1.00 0.00 C ATOM 391 NE2 HIS A 28 2.180 5.486 4.149 1.00 0.00 N ATOM 0 H HIS A 28 0.302 8.068 1.785 1.00 0.00 H new ATOM 0 HA HIS A 28 -1.601 6.441 2.780 1.00 0.00 H new ATOM 0 HB2 HIS A 28 -0.313 8.890 4.035 1.00 0.00 H new ATOM 0 HB3 HIS A 28 -1.279 7.750 4.952 1.00 0.00 H new ATOM 0 HD1 HIS A 28 1.393 7.847 6.039 1.00 0.00 H new ATOM 0 HD2 HIS A 28 0.580 5.526 2.649 1.00 0.00 H new ATOM 0 HE1 HIS A 28 3.252 6.118 5.891 1.00 0.00 H new ATOM 399 N ARG A 29 -2.777 9.536 2.726 1.00 0.00 N ATOM 400 CA ARG A 29 -4.005 10.321 2.757 1.00 0.00 C ATOM 401 C ARG A 29 -5.061 9.715 1.837 1.00 0.00 C ATOM 402 O ARG A 29 -6.250 9.712 2.156 1.00 0.00 O ATOM 403 CB ARG A 29 -3.722 11.767 2.343 1.00 0.00 C ATOM 404 CG ARG A 29 -3.225 11.905 0.913 1.00 0.00 C ATOM 405 CD ARG A 29 -2.329 13.122 0.751 1.00 0.00 C ATOM 406 NE ARG A 29 -3.092 14.325 0.426 1.00 0.00 N ATOM 407 CZ ARG A 29 -2.537 15.462 0.024 1.00 0.00 C ATOM 408 NH1 ARG A 29 -1.220 15.552 -0.103 1.00 0.00 N ATOM 409 NH2 ARG A 29 -3.299 16.513 -0.253 1.00 0.00 N ATOM 0 H ARG A 29 -1.929 10.085 2.584 1.00 0.00 H new ATOM 0 HA ARG A 29 -4.388 10.311 3.778 1.00 0.00 H new ATOM 0 HB2 ARG A 29 -4.633 12.354 2.460 1.00 0.00 H new ATOM 0 HB3 ARG A 29 -2.980 12.191 3.019 1.00 0.00 H new ATOM 0 HG2 ARG A 29 -2.676 11.007 0.629 1.00 0.00 H new ATOM 0 HG3 ARG A 29 -4.076 11.986 0.237 1.00 0.00 H new ATOM 0 HD2 ARG A 29 -1.770 13.285 1.672 1.00 0.00 H new ATOM 0 HD3 ARG A 29 -1.599 12.932 -0.036 1.00 0.00 H new ATOM 0 HE ARG A 29 -4.108 14.289 0.513 1.00 0.00 H new ATOM 0 HH11 ARG A 29 -0.631 14.746 0.108 1.00 0.00 H new ATOM 0 HH12 ARG A 29 -0.796 16.427 -0.412 1.00 0.00 H new ATOM 0 HH21 ARG A 29 -4.312 16.448 -0.157 1.00 0.00 H new ATOM 0 HH22 ARG A 29 -2.871 17.386 -0.562 1.00 0.00 H new ATOM 423 N TYR A 30 -4.618 9.204 0.692 1.00 0.00 N ATOM 424 CA TYR A 30 -5.524 8.598 -0.276 1.00 0.00 C ATOM 425 C TYR A 30 -5.840 7.154 0.103 1.00 0.00 C ATOM 426 O TYR A 30 -6.972 6.695 -0.045 1.00 0.00 O ATOM 427 CB TYR A 30 -4.915 8.648 -1.678 1.00 0.00 C ATOM 428 CG TYR A 30 -4.528 10.042 -2.121 1.00 0.00 C ATOM 429 CD1 TYR A 30 -5.404 11.109 -1.965 1.00 0.00 C ATOM 430 CD2 TYR A 30 -3.288 10.290 -2.695 1.00 0.00 C ATOM 431 CE1 TYR A 30 -5.055 12.383 -2.369 1.00 0.00 C ATOM 432 CE2 TYR A 30 -2.930 11.561 -3.101 1.00 0.00 C ATOM 433 CZ TYR A 30 -3.818 12.604 -2.936 1.00 0.00 C ATOM 434 OH TYR A 30 -3.467 13.872 -3.339 1.00 0.00 O ATOM 0 H TYR A 30 -3.637 9.198 0.413 1.00 0.00 H new ATOM 0 HA TYR A 30 -6.453 9.167 -0.271 1.00 0.00 H new ATOM 0 HB2 TYR A 30 -4.032 8.009 -1.705 1.00 0.00 H new ATOM 0 HB3 TYR A 30 -5.629 8.235 -2.390 1.00 0.00 H new ATOM 0 HD1 TYR A 30 -6.374 10.940 -1.521 1.00 0.00 H new ATOM 0 HD2 TYR A 30 -2.591 9.475 -2.826 1.00 0.00 H new ATOM 0 HE1 TYR A 30 -5.748 13.202 -2.241 1.00 0.00 H new ATOM 0 HE2 TYR A 30 -1.961 11.737 -3.545 1.00 0.00 H new ATOM 0 HH TYR A 30 -2.563 13.857 -3.717 1.00 0.00 H new ATOM 444 N VAL A 31 -4.829 6.444 0.593 1.00 0.00 N ATOM 445 CA VAL A 31 -4.998 5.052 0.996 1.00 0.00 C ATOM 446 C VAL A 31 -6.046 4.921 2.095 1.00 0.00 C ATOM 447 O VAL A 31 -7.025 4.188 1.948 1.00 0.00 O ATOM 448 CB VAL A 31 -3.670 4.447 1.491 1.00 0.00 C ATOM 449 CG1 VAL A 31 -3.879 3.016 1.962 1.00 0.00 C ATOM 450 CG2 VAL A 31 -2.616 4.509 0.398 1.00 0.00 C ATOM 0 H VAL A 31 -3.885 6.809 0.721 1.00 0.00 H new ATOM 0 HA VAL A 31 -5.332 4.505 0.114 1.00 0.00 H new ATOM 0 HB VAL A 31 -3.316 5.035 2.338 1.00 0.00 H new ATOM 0 HG11 VAL A 31 -2.931 2.605 2.308 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -4.600 3.004 2.780 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -4.256 2.413 1.136 1.00 0.00 H new ATOM 0 HG21 VAL A 31 -1.685 4.077 0.765 1.00 0.00 H new ATOM 0 HG22 VAL A 31 -2.959 3.946 -0.470 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -2.447 5.548 0.114 1.00 0.00 H new ATOM 460 N ILE A 32 -5.834 5.636 3.195 1.00 0.00 N ATOM 461 CA ILE A 32 -6.762 5.600 4.319 1.00 0.00 C ATOM 462 C ILE A 32 -8.141 6.107 3.909 1.00 0.00 C ATOM 463 O ILE A 32 -9.132 5.384 4.002 1.00 0.00 O ATOM 464 CB ILE A 32 -6.247 6.443 5.500 1.00 0.00 C ATOM 465 CG1 ILE A 32 -4.817 6.036 5.861 1.00 0.00 C ATOM 466 CG2 ILE A 32 -7.167 6.286 6.702 1.00 0.00 C ATOM 467 CD1 ILE A 32 -4.044 7.119 6.580 1.00 0.00 C ATOM 0 H ILE A 32 -5.029 6.247 3.332 1.00 0.00 H new ATOM 0 HA ILE A 32 -6.839 4.559 4.633 1.00 0.00 H new ATOM 0 HB ILE A 32 -6.242 7.492 5.204 1.00 0.00 H new ATOM 0 HG12 ILE A 32 -4.849 5.146 6.489 1.00 0.00 H new ATOM 0 HG13 ILE A 32 -4.284 5.764 4.950 1.00 0.00 H new ATOM 0 HG21 ILE A 32 -6.791 6.888 7.529 1.00 0.00 H new ATOM 0 HG22 ILE A 32 -8.171 6.620 6.438 1.00 0.00 H new ATOM 0 HG23 ILE A 32 -7.200 5.238 7.001 1.00 0.00 H new ATOM 0 HD11 ILE A 32 -3.039 6.761 6.805 1.00 0.00 H new ATOM 0 HD12 ILE A 32 -3.981 8.003 5.946 1.00 0.00 H new ATOM 0 HD13 ILE A 32 -4.554 7.375 7.509 1.00 0.00 H new ATOM 550 N ILE A 39 -8.940 1.378 2.955 1.00 0.00 N ATOM 551 CA ILE A 39 -8.216 0.293 3.605 1.00 0.00 C ATOM 552 C ILE A 39 -9.177 -0.735 4.193 1.00 0.00 C ATOM 553 O ILE A 39 -9.030 -1.936 3.969 1.00 0.00 O ATOM 554 CB ILE A 39 -7.298 0.820 4.724 1.00 0.00 C ATOM 555 CG1 ILE A 39 -6.318 1.853 4.165 1.00 0.00 C ATOM 556 CG2 ILE A 39 -6.548 -0.330 5.378 1.00 0.00 C ATOM 557 CD1 ILE A 39 -5.404 2.448 5.212 1.00 0.00 C ATOM 0 HA ILE A 39 -7.605 -0.182 2.838 1.00 0.00 H new ATOM 0 HB ILE A 39 -7.914 1.304 5.482 1.00 0.00 H new ATOM 0 HG12 ILE A 39 -5.712 1.384 3.390 1.00 0.00 H new ATOM 0 HG13 ILE A 39 -6.881 2.655 3.688 1.00 0.00 H new ATOM 0 HG21 ILE A 39 -5.903 0.058 6.167 1.00 0.00 H new ATOM 0 HG22 ILE A 39 -7.262 -1.033 5.806 1.00 0.00 H new ATOM 0 HG23 ILE A 39 -5.940 -0.840 4.631 1.00 0.00 H new ATOM 0 HD11 ILE A 39 -4.737 3.172 4.744 1.00 0.00 H new ATOM 0 HD12 ILE A 39 -6.001 2.946 5.976 1.00 0.00 H new ATOM 0 HD13 ILE A 39 -4.814 1.656 5.673 1.00 0.00 H new ATOM 569 N ARG A 40 -10.162 -0.254 4.945 1.00 0.00 N ATOM 570 CA ARG A 40 -11.148 -1.130 5.565 1.00 0.00 C ATOM 571 C ARG A 40 -11.466 -2.317 4.660 1.00 0.00 C ATOM 572 O ARG A 40 -11.472 -3.465 5.103 1.00 0.00 O ATOM 573 CB ARG A 40 -12.430 -0.354 5.875 1.00 0.00 C ATOM 574 CG ARG A 40 -13.179 -0.874 7.089 1.00 0.00 C ATOM 575 CD ARG A 40 -12.377 -0.677 8.366 1.00 0.00 C ATOM 576 NE ARG A 40 -11.545 -1.837 8.676 1.00 0.00 N ATOM 577 CZ ARG A 40 -10.987 -2.046 9.862 1.00 0.00 C ATOM 578 NH1 ARG A 40 -11.172 -1.178 10.848 1.00 0.00 N ATOM 579 NH2 ARG A 40 -10.244 -3.126 10.066 1.00 0.00 N ATOM 0 H ARG A 40 -10.298 0.738 5.139 1.00 0.00 H new ATOM 0 HA ARG A 40 -10.726 -1.507 6.497 1.00 0.00 H new ATOM 0 HB2 ARG A 40 -12.180 0.695 6.035 1.00 0.00 H new ATOM 0 HB3 ARG A 40 -13.088 -0.396 5.007 1.00 0.00 H new ATOM 0 HG2 ARG A 40 -14.136 -0.359 7.176 1.00 0.00 H new ATOM 0 HG3 ARG A 40 -13.399 -1.933 6.956 1.00 0.00 H new ATOM 0 HD2 ARG A 40 -11.745 0.205 8.264 1.00 0.00 H new ATOM 0 HD3 ARG A 40 -13.058 -0.487 9.196 1.00 0.00 H new ATOM 0 HE ARG A 40 -11.384 -2.525 7.940 1.00 0.00 H new ATOM 0 HH11 ARG A 40 -11.744 -0.348 10.696 1.00 0.00 H new ATOM 0 HH12 ARG A 40 -10.742 -1.341 11.758 1.00 0.00 H new ATOM 0 HH21 ARG A 40 -10.101 -3.797 9.311 1.00 0.00 H new ATOM 0 HH22 ARG A 40 -9.816 -3.286 10.978 1.00 0.00 H new ATOM 593 N LYS A 41 -11.732 -2.031 3.390 1.00 0.00 N ATOM 594 CA LYS A 41 -12.049 -3.074 2.422 1.00 0.00 C ATOM 595 C LYS A 41 -10.995 -4.176 2.443 1.00 0.00 C ATOM 596 O LYS A 41 -11.323 -5.359 2.537 1.00 0.00 O ATOM 597 CB LYS A 41 -12.152 -2.478 1.015 1.00 0.00 C ATOM 598 CG LYS A 41 -12.312 -3.520 -0.077 1.00 0.00 C ATOM 599 CD LYS A 41 -12.661 -2.882 -1.410 1.00 0.00 C ATOM 600 CE LYS A 41 -13.503 -3.813 -2.271 1.00 0.00 C ATOM 601 NZ LYS A 41 -14.345 -3.061 -3.242 1.00 0.00 N ATOM 0 H LYS A 41 -11.734 -1.086 3.007 1.00 0.00 H new ATOM 0 HA LYS A 41 -13.009 -3.510 2.697 1.00 0.00 H new ATOM 0 HB2 LYS A 41 -13.000 -1.795 0.980 1.00 0.00 H new ATOM 0 HB3 LYS A 41 -11.258 -1.887 0.814 1.00 0.00 H new ATOM 0 HG2 LYS A 41 -11.388 -4.089 -0.176 1.00 0.00 H new ATOM 0 HG3 LYS A 41 -13.093 -4.226 0.205 1.00 0.00 H new ATOM 0 HD2 LYS A 41 -13.204 -1.953 -1.239 1.00 0.00 H new ATOM 0 HD3 LYS A 41 -11.745 -2.623 -1.941 1.00 0.00 H new ATOM 0 HE2 LYS A 41 -12.850 -4.498 -2.811 1.00 0.00 H new ATOM 0 HE3 LYS A 41 -14.142 -4.421 -1.631 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 -14.903 -3.731 -3.809 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 -14.987 -2.426 -2.726 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 -13.734 -2.501 -3.870 1.00 0.00 H new ATOM 615 N MET A 42 -9.730 -3.780 2.355 1.00 0.00 N ATOM 616 CA MET A 42 -8.628 -4.736 2.366 1.00 0.00 C ATOM 617 C MET A 42 -8.583 -5.496 3.687 1.00 0.00 C ATOM 618 O MET A 42 -8.564 -6.726 3.706 1.00 0.00 O ATOM 619 CB MET A 42 -7.299 -4.017 2.132 1.00 0.00 C ATOM 620 CG MET A 42 -7.261 -3.213 0.843 1.00 0.00 C ATOM 621 SD MET A 42 -5.606 -3.108 0.136 1.00 0.00 S ATOM 622 CE MET A 42 -4.695 -2.410 1.511 1.00 0.00 C ATOM 0 H MET A 42 -9.442 -2.805 2.275 1.00 0.00 H new ATOM 0 HA MET A 42 -8.792 -5.452 1.560 1.00 0.00 H new ATOM 0 HB2 MET A 42 -7.103 -3.351 2.972 1.00 0.00 H new ATOM 0 HB3 MET A 42 -6.495 -4.753 2.115 1.00 0.00 H new ATOM 0 HG2 MET A 42 -7.934 -3.668 0.116 1.00 0.00 H new ATOM 0 HG3 MET A 42 -7.633 -2.207 1.036 1.00 0.00 H new ATOM 0 HE1 MET A 42 -4.274 -1.448 1.218 1.00 0.00 H new ATOM 0 HE2 MET A 42 -5.366 -2.269 2.358 1.00 0.00 H new ATOM 0 HE3 MET A 42 -3.890 -3.087 1.795 1.00 0.00 H new ATOM 632 N MET A 43 -8.565 -4.756 4.791 1.00 0.00 N ATOM 633 CA MET A 43 -8.522 -5.362 6.117 1.00 0.00 C ATOM 634 C MET A 43 -9.614 -6.416 6.268 1.00 0.00 C ATOM 635 O MET A 43 -9.383 -7.487 6.830 1.00 0.00 O ATOM 636 CB MET A 43 -8.678 -4.290 7.197 1.00 0.00 C ATOM 637 CG MET A 43 -7.391 -3.541 7.501 1.00 0.00 C ATOM 638 SD MET A 43 -7.402 -2.778 9.134 1.00 0.00 S ATOM 639 CE MET A 43 -8.013 -1.141 8.739 1.00 0.00 C ATOM 0 H MET A 43 -8.580 -3.736 4.794 1.00 0.00 H new ATOM 0 HA MET A 43 -7.554 -5.848 6.236 1.00 0.00 H new ATOM 0 HB2 MET A 43 -9.438 -3.576 6.881 1.00 0.00 H new ATOM 0 HB3 MET A 43 -9.041 -4.758 8.112 1.00 0.00 H new ATOM 0 HG2 MET A 43 -6.549 -4.230 7.432 1.00 0.00 H new ATOM 0 HG3 MET A 43 -7.236 -2.771 6.745 1.00 0.00 H new ATOM 0 HE1 MET A 43 -8.294 -0.626 9.658 1.00 0.00 H new ATOM 0 HE2 MET A 43 -7.233 -0.575 8.230 1.00 0.00 H new ATOM 0 HE3 MET A 43 -8.884 -1.225 8.089 1.00 0.00 H new ATOM 649 N ASP A 44 -10.804 -6.105 5.764 1.00 0.00 N ATOM 650 CA ASP A 44 -11.932 -7.026 5.843 1.00 0.00 C ATOM 651 C ASP A 44 -11.751 -8.191 4.874 1.00 0.00 C ATOM 652 O ASP A 44 -11.951 -9.349 5.238 1.00 0.00 O ATOM 653 CB ASP A 44 -13.239 -6.293 5.541 1.00 0.00 C ATOM 654 CG ASP A 44 -13.877 -5.709 6.787 1.00 0.00 C ATOM 655 OD1 ASP A 44 -14.326 -6.496 7.647 1.00 0.00 O ATOM 656 OD2 ASP A 44 -13.926 -4.467 6.901 1.00 0.00 O ATOM 0 H ASP A 44 -11.012 -5.223 5.297 1.00 0.00 H new ATOM 0 HA ASP A 44 -11.974 -7.424 6.857 1.00 0.00 H new ATOM 0 HB2 ASP A 44 -13.047 -5.493 4.826 1.00 0.00 H new ATOM 0 HB3 ASP A 44 -13.938 -6.983 5.068 1.00 0.00 H new ATOM 661 N GLU A 45 -11.373 -7.873 3.640 1.00 0.00 N ATOM 662 CA GLU A 45 -11.168 -8.894 2.619 1.00 0.00 C ATOM 663 C GLU A 45 -10.074 -9.872 3.039 1.00 0.00 C ATOM 664 O GLU A 45 -10.325 -11.065 3.210 1.00 0.00 O ATOM 665 CB GLU A 45 -10.800 -8.243 1.284 1.00 0.00 C ATOM 666 CG GLU A 45 -9.991 -9.148 0.369 1.00 0.00 C ATOM 667 CD GLU A 45 -10.223 -8.850 -1.100 1.00 0.00 C ATOM 668 OE1 GLU A 45 -11.395 -8.662 -1.488 1.00 0.00 O ATOM 669 OE2 GLU A 45 -9.235 -8.806 -1.861 1.00 0.00 O ATOM 0 H GLU A 45 -11.203 -6.918 3.323 1.00 0.00 H new ATOM 0 HA GLU A 45 -12.100 -9.447 2.502 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -11.714 -7.944 0.771 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -10.231 -7.333 1.477 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -8.931 -9.034 0.596 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -10.250 -10.187 0.570 1.00 0.00 H new ATOM 676 N PHE A 46 -8.860 -9.358 3.202 1.00 0.00 N ATOM 677 CA PHE A 46 -7.727 -10.185 3.600 1.00 0.00 C ATOM 678 C PHE A 46 -7.782 -10.502 5.092 1.00 0.00 C ATOM 679 O PHE A 46 -6.919 -11.202 5.620 1.00 0.00 O ATOM 680 CB PHE A 46 -6.411 -9.481 3.265 1.00 0.00 C ATOM 681 CG PHE A 46 -6.307 -9.055 1.828 1.00 0.00 C ATOM 682 CD1 PHE A 46 -6.304 -9.996 0.812 1.00 0.00 C ATOM 683 CD2 PHE A 46 -6.213 -7.714 1.494 1.00 0.00 C ATOM 684 CE1 PHE A 46 -6.208 -9.608 -0.511 1.00 0.00 C ATOM 685 CE2 PHE A 46 -6.117 -7.319 0.173 1.00 0.00 C ATOM 686 CZ PHE A 46 -6.115 -8.268 -0.831 1.00 0.00 C ATOM 0 H PHE A 46 -8.635 -8.373 3.065 1.00 0.00 H new ATOM 0 HA PHE A 46 -7.781 -11.122 3.045 1.00 0.00 H new ATOM 0 HB2 PHE A 46 -6.304 -8.604 3.904 1.00 0.00 H new ATOM 0 HB3 PHE A 46 -5.582 -10.148 3.499 1.00 0.00 H new ATOM 0 HD1 PHE A 46 -6.378 -11.045 1.056 1.00 0.00 H new ATOM 0 HD2 PHE A 46 -6.215 -6.968 2.275 1.00 0.00 H new ATOM 0 HE1 PHE A 46 -6.206 -10.352 -1.294 1.00 0.00 H new ATOM 0 HE2 PHE A 46 -6.044 -6.270 -0.074 1.00 0.00 H new ATOM 0 HZ PHE A 46 -6.041 -7.962 -1.864 1.00 0.00 H new ATOM 696 N GLU A 47 -8.803 -9.981 5.763 1.00 0.00 N ATOM 697 CA GLU A 47 -8.971 -10.206 7.194 1.00 0.00 C ATOM 698 C GLU A 47 -7.678 -9.906 7.947 1.00 0.00 C ATOM 699 O GLU A 47 -7.239 -10.692 8.786 1.00 0.00 O ATOM 700 CB GLU A 47 -9.404 -11.650 7.458 1.00 0.00 C ATOM 701 CG GLU A 47 -10.802 -11.967 6.954 1.00 0.00 C ATOM 702 CD GLU A 47 -11.437 -13.133 7.688 1.00 0.00 C ATOM 703 OE1 GLU A 47 -10.725 -14.123 7.958 1.00 0.00 O ATOM 704 OE2 GLU A 47 -12.645 -13.053 7.995 1.00 0.00 O ATOM 0 H GLU A 47 -9.527 -9.400 5.339 1.00 0.00 H new ATOM 0 HA GLU A 47 -9.746 -9.530 7.554 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -8.693 -12.326 6.983 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -9.361 -11.843 8.530 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -11.433 -11.085 7.066 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -10.757 -12.194 5.889 1.00 0.00 H new ATOM 711 N VAL A 48 -7.073 -8.764 7.639 1.00 0.00 N ATOM 712 CA VAL A 48 -5.830 -8.358 8.287 1.00 0.00 C ATOM 713 C VAL A 48 -5.957 -6.967 8.897 1.00 0.00 C ATOM 714 O VAL A 48 -7.002 -6.326 8.793 1.00 0.00 O ATOM 715 CB VAL A 48 -4.652 -8.367 7.295 1.00 0.00 C ATOM 716 CG1 VAL A 48 -4.319 -9.790 6.873 1.00 0.00 C ATOM 717 CG2 VAL A 48 -4.969 -7.504 6.083 1.00 0.00 C ATOM 0 H VAL A 48 -7.422 -8.103 6.945 1.00 0.00 H new ATOM 0 HA VAL A 48 -5.634 -9.081 9.079 1.00 0.00 H new ATOM 0 HB VAL A 48 -3.778 -7.947 7.793 1.00 0.00 H new ATOM 0 HG11 VAL A 48 -3.484 -9.776 6.172 1.00 0.00 H new ATOM 0 HG12 VAL A 48 -4.046 -10.375 7.751 1.00 0.00 H new ATOM 0 HG13 VAL A 48 -5.188 -10.240 6.393 1.00 0.00 H new ATOM 0 HG21 VAL A 48 -4.126 -7.522 5.393 1.00 0.00 H new ATOM 0 HG22 VAL A 48 -5.856 -7.892 5.582 1.00 0.00 H new ATOM 0 HG23 VAL A 48 -5.153 -6.479 6.404 1.00 0.00 H new ATOM 727 N ASN A 49 -4.884 -6.505 9.533 1.00 0.00 N ATOM 728 CA ASN A 49 -4.876 -5.189 10.160 1.00 0.00 C ATOM 729 C ASN A 49 -3.694 -4.359 9.666 1.00 0.00 C ATOM 730 O ASN A 49 -2.537 -4.705 9.905 1.00 0.00 O ATOM 731 CB ASN A 49 -4.815 -5.327 11.683 1.00 0.00 C ATOM 732 CG ASN A 49 -6.050 -5.998 12.252 1.00 0.00 C ATOM 733 OD1 ASN A 49 -6.030 -7.184 12.583 1.00 0.00 O ATOM 734 ND2 ASN A 49 -7.133 -5.239 12.369 1.00 0.00 N ATOM 0 H ASN A 49 -4.010 -7.023 9.627 1.00 0.00 H new ATOM 0 HA ASN A 49 -5.798 -4.677 9.885 1.00 0.00 H new ATOM 0 HB2 ASN A 49 -3.932 -5.904 11.958 1.00 0.00 H new ATOM 0 HB3 ASN A 49 -4.702 -4.339 12.130 1.00 0.00 H new ATOM 0 HD21 ASN A 49 -7.994 -5.634 12.746 1.00 0.00 H new ATOM 0 HD22 ASN A 49 -7.104 -4.261 12.082 1.00 0.00 H new ATOM 741 N ILE A 50 -3.996 -3.265 8.976 1.00 0.00 N ATOM 742 CA ILE A 50 -2.959 -2.385 8.449 1.00 0.00 C ATOM 743 C ILE A 50 -2.815 -1.131 9.305 1.00 0.00 C ATOM 744 O ILE A 50 -3.799 -0.451 9.598 1.00 0.00 O ATOM 745 CB ILE A 50 -3.257 -1.971 6.996 1.00 0.00 C ATOM 746 CG1 ILE A 50 -3.384 -3.208 6.106 1.00 0.00 C ATOM 747 CG2 ILE A 50 -2.167 -1.045 6.475 1.00 0.00 C ATOM 748 CD1 ILE A 50 -3.701 -2.883 4.662 1.00 0.00 C ATOM 0 H ILE A 50 -4.949 -2.966 8.769 1.00 0.00 H new ATOM 0 HA ILE A 50 -2.025 -2.947 8.473 1.00 0.00 H new ATOM 0 HB ILE A 50 -4.205 -1.433 6.974 1.00 0.00 H new ATOM 0 HG12 ILE A 50 -2.452 -3.772 6.147 1.00 0.00 H new ATOM 0 HG13 ILE A 50 -4.166 -3.854 6.505 1.00 0.00 H new ATOM 0 HG21 ILE A 50 -2.392 -0.761 5.447 1.00 0.00 H new ATOM 0 HG22 ILE A 50 -2.121 -0.151 7.097 1.00 0.00 H new ATOM 0 HG23 ILE A 50 -1.206 -1.559 6.508 1.00 0.00 H new ATOM 0 HD11 ILE A 50 -3.777 -3.807 4.089 1.00 0.00 H new ATOM 0 HD12 ILE A 50 -4.648 -2.345 4.609 1.00 0.00 H new ATOM 0 HD13 ILE A 50 -2.907 -2.262 4.246 1.00 0.00 H new ATOM 760 N HIS A 51 -1.583 -0.830 9.701 1.00 0.00 N ATOM 761 CA HIS A 51 -1.310 0.345 10.522 1.00 0.00 C ATOM 762 C HIS A 51 -0.464 1.357 9.756 1.00 0.00 C ATOM 763 O HIS A 51 0.560 1.009 9.168 1.00 0.00 O ATOM 764 CB HIS A 51 -0.596 -0.062 11.811 1.00 0.00 C ATOM 765 CG HIS A 51 -1.530 -0.428 12.923 1.00 0.00 C ATOM 766 ND1 HIS A 51 -2.115 0.505 13.753 1.00 0.00 N ATOM 767 CD2 HIS A 51 -1.981 -1.634 13.339 1.00 0.00 C ATOM 768 CE1 HIS A 51 -2.884 -0.111 14.632 1.00 0.00 C ATOM 769 NE2 HIS A 51 -2.821 -1.410 14.402 1.00 0.00 N ATOM 0 H HIS A 51 -0.758 -1.382 9.467 1.00 0.00 H new ATOM 0 HA HIS A 51 -2.263 0.811 10.775 1.00 0.00 H new ATOM 0 HB2 HIS A 51 0.057 -0.909 11.603 1.00 0.00 H new ATOM 0 HB3 HIS A 51 0.041 0.759 12.138 1.00 0.00 H new ATOM 0 HD2 HIS A 51 -1.728 -2.594 12.914 1.00 0.00 H new ATOM 0 HE1 HIS A 51 -3.465 0.366 15.407 1.00 0.00 H new ATOM 0 HE2 HIS A 51 -3.316 -2.130 14.928 1.00 0.00 H new ATOM 777 N VAL A 52 -0.899 2.614 9.767 1.00 0.00 N ATOM 778 CA VAL A 52 -0.183 3.677 9.073 1.00 0.00 C ATOM 779 C VAL A 52 0.469 4.636 10.063 1.00 0.00 C ATOM 780 O VAL A 52 -0.115 5.007 11.081 1.00 0.00 O ATOM 781 CB VAL A 52 -1.119 4.472 8.144 1.00 0.00 C ATOM 782 CG1 VAL A 52 -0.367 5.615 7.478 1.00 0.00 C ATOM 783 CG2 VAL A 52 -1.740 3.554 7.102 1.00 0.00 C ATOM 0 H VAL A 52 -1.744 2.920 10.249 1.00 0.00 H new ATOM 0 HA VAL A 52 0.590 3.198 8.472 1.00 0.00 H new ATOM 0 HB VAL A 52 -1.922 4.899 8.745 1.00 0.00 H new ATOM 0 HG11 VAL A 52 -1.045 6.165 6.825 1.00 0.00 H new ATOM 0 HG12 VAL A 52 0.026 6.286 8.242 1.00 0.00 H new ATOM 0 HG13 VAL A 52 0.458 5.214 6.889 1.00 0.00 H new ATOM 0 HG21 VAL A 52 -2.399 4.132 6.454 1.00 0.00 H new ATOM 0 HG22 VAL A 52 -0.952 3.097 6.504 1.00 0.00 H new ATOM 0 HG23 VAL A 52 -2.315 2.774 7.601 1.00 0.00 H new ATOM 793 N PRO A 53 1.707 5.051 9.758 1.00 0.00 N ATOM 794 CA PRO A 53 2.465 5.975 10.608 1.00 0.00 C ATOM 795 C PRO A 53 1.884 7.384 10.593 1.00 0.00 C ATOM 796 O PRO A 53 1.437 7.871 9.556 1.00 0.00 O ATOM 797 CB PRO A 53 3.863 5.966 9.984 1.00 0.00 C ATOM 798 CG PRO A 53 3.639 5.588 8.561 1.00 0.00 C ATOM 799 CD PRO A 53 2.463 4.650 8.560 1.00 0.00 C ATOM 0 HA PRO A 53 2.449 5.672 11.655 1.00 0.00 H new ATOM 0 HB2 PRO A 53 4.339 6.943 10.064 1.00 0.00 H new ATOM 0 HB3 PRO A 53 4.516 5.252 10.485 1.00 0.00 H new ATOM 0 HG2 PRO A 53 3.436 6.468 7.951 1.00 0.00 H new ATOM 0 HG3 PRO A 53 4.522 5.106 8.142 1.00 0.00 H new ATOM 0 HD2 PRO A 53 1.866 4.755 7.654 1.00 0.00 H new ATOM 0 HD3 PRO A 53 2.780 3.608 8.614 1.00 0.00 H new ATOM 807 N ALA A 54 1.894 8.035 11.752 1.00 0.00 N ATOM 808 CA ALA A 54 1.370 9.391 11.871 1.00 0.00 C ATOM 809 C ALA A 54 2.215 10.378 11.073 1.00 0.00 C ATOM 810 O ALA A 54 3.360 10.103 10.713 1.00 0.00 O ATOM 811 CB ALA A 54 1.310 9.806 13.333 1.00 0.00 C ATOM 0 H ALA A 54 2.259 7.646 12.621 1.00 0.00 H new ATOM 0 HA ALA A 54 0.361 9.402 11.460 1.00 0.00 H new ATOM 0 HB1 ALA A 54 0.917 10.820 13.408 1.00 0.00 H new ATOM 0 HB2 ALA A 54 0.658 9.123 13.879 1.00 0.00 H new ATOM 0 HB3 ALA A 54 2.311 9.772 13.762 1.00 0.00 H new ATOM 817 N PRO A 55 1.640 11.555 10.790 1.00 0.00 N ATOM 818 CA PRO A 55 2.323 12.608 10.031 1.00 0.00 C ATOM 819 C PRO A 55 3.463 13.243 10.818 1.00 0.00 C ATOM 820 O PRO A 55 4.344 13.884 10.245 1.00 0.00 O ATOM 821 CB PRO A 55 1.217 13.633 9.770 1.00 0.00 C ATOM 822 CG PRO A 55 0.238 13.422 10.873 1.00 0.00 C ATOM 823 CD PRO A 55 0.279 11.952 11.188 1.00 0.00 C ATOM 0 HA PRO A 55 2.786 12.221 9.123 1.00 0.00 H new ATOM 0 HB2 PRO A 55 1.610 14.650 9.778 1.00 0.00 H new ATOM 0 HB3 PRO A 55 0.755 13.477 8.795 1.00 0.00 H new ATOM 0 HG2 PRO A 55 0.502 14.016 11.748 1.00 0.00 H new ATOM 0 HG3 PRO A 55 -0.763 13.728 10.570 1.00 0.00 H new ATOM 0 HD2 PRO A 55 0.099 11.763 12.246 1.00 0.00 H new ATOM 0 HD3 PRO A 55 -0.479 11.401 10.632 1.00 0.00 H new ATOM 831 N GLU A 56 3.441 13.061 12.135 1.00 0.00 N ATOM 832 CA GLU A 56 4.474 13.618 13.000 1.00 0.00 C ATOM 833 C GLU A 56 5.744 12.773 12.945 1.00 0.00 C ATOM 834 O GLU A 56 6.838 13.255 13.241 1.00 0.00 O ATOM 835 CB GLU A 56 3.970 13.707 14.442 1.00 0.00 C ATOM 836 CG GLU A 56 4.154 12.422 15.232 1.00 0.00 C ATOM 837 CD GLU A 56 5.482 12.370 15.960 1.00 0.00 C ATOM 838 OE1 GLU A 56 6.329 13.254 15.713 1.00 0.00 O ATOM 839 OE2 GLU A 56 5.677 11.444 16.775 1.00 0.00 O ATOM 0 H GLU A 56 2.720 12.533 12.626 1.00 0.00 H new ATOM 0 HA GLU A 56 4.709 14.620 12.642 1.00 0.00 H new ATOM 0 HB2 GLU A 56 4.494 14.515 14.952 1.00 0.00 H new ATOM 0 HB3 GLU A 56 2.912 13.969 14.433 1.00 0.00 H new ATOM 0 HG2 GLU A 56 3.344 12.325 15.955 1.00 0.00 H new ATOM 0 HG3 GLU A 56 4.081 11.570 14.555 1.00 0.00 H new ATOM 846 N LEU A 57 5.590 11.510 12.564 1.00 0.00 N ATOM 847 CA LEU A 57 6.723 10.596 12.470 1.00 0.00 C ATOM 848 C LEU A 57 7.389 10.692 11.101 1.00 0.00 C ATOM 849 O LEU A 57 8.553 10.329 10.941 1.00 0.00 O ATOM 850 CB LEU A 57 6.267 9.158 12.729 1.00 0.00 C ATOM 851 CG LEU A 57 5.638 8.889 14.097 1.00 0.00 C ATOM 852 CD1 LEU A 57 4.776 7.638 14.051 1.00 0.00 C ATOM 853 CD2 LEU A 57 6.717 8.758 15.163 1.00 0.00 C ATOM 0 H LEU A 57 4.692 11.095 12.315 1.00 0.00 H new ATOM 0 HA LEU A 57 7.452 10.882 13.228 1.00 0.00 H new ATOM 0 HB2 LEU A 57 5.546 8.883 11.959 1.00 0.00 H new ATOM 0 HB3 LEU A 57 7.127 8.499 12.611 1.00 0.00 H new ATOM 0 HG LEU A 57 5.001 9.734 14.356 1.00 0.00 H new ATOM 0 HD11 LEU A 57 4.337 7.462 15.033 1.00 0.00 H new ATOM 0 HD12 LEU A 57 3.982 7.770 13.317 1.00 0.00 H new ATOM 0 HD13 LEU A 57 5.391 6.783 13.770 1.00 0.00 H new ATOM 0 HD21 LEU A 57 6.252 8.567 16.130 1.00 0.00 H new ATOM 0 HD22 LEU A 57 7.380 7.931 14.910 1.00 0.00 H new ATOM 0 HD23 LEU A 57 7.293 9.682 15.214 1.00 0.00 H new ATOM 865 N GLN A 58 6.641 11.185 10.120 1.00 0.00 N ATOM 866 CA GLN A 58 7.159 11.329 8.764 1.00 0.00 C ATOM 867 C GLN A 58 7.780 10.025 8.276 1.00 0.00 C ATOM 868 O GLN A 58 8.911 10.007 7.791 1.00 0.00 O ATOM 869 CB GLN A 58 8.196 12.453 8.710 1.00 0.00 C ATOM 870 CG GLN A 58 7.785 13.698 9.478 1.00 0.00 C ATOM 871 CD GLN A 58 8.973 14.522 9.933 1.00 0.00 C ATOM 872 OE1 GLN A 58 9.634 15.178 9.128 1.00 0.00 O ATOM 873 NE2 GLN A 58 9.252 14.493 11.232 1.00 0.00 N ATOM 0 H GLN A 58 5.675 11.491 10.238 1.00 0.00 H new ATOM 0 HA GLN A 58 6.325 11.580 8.108 1.00 0.00 H new ATOM 0 HB2 GLN A 58 9.140 12.084 9.111 1.00 0.00 H new ATOM 0 HB3 GLN A 58 8.375 12.721 7.669 1.00 0.00 H new ATOM 0 HG2 GLN A 58 7.141 14.312 8.849 1.00 0.00 H new ATOM 0 HG3 GLN A 58 7.196 13.406 10.347 1.00 0.00 H new ATOM 0 HE21 GLN A 58 8.678 13.936 11.865 1.00 0.00 H new ATOM 0 HE22 GLN A 58 10.040 15.028 11.596 1.00 0.00 H new ATOM 882 N SER A 59 7.031 8.933 8.408 1.00 0.00 N ATOM 883 CA SER A 59 7.510 7.623 7.984 1.00 0.00 C ATOM 884 C SER A 59 6.818 7.183 6.697 1.00 0.00 C ATOM 885 O SER A 59 5.611 7.363 6.535 1.00 0.00 O ATOM 886 CB SER A 59 7.270 6.588 9.085 1.00 0.00 C ATOM 887 OG SER A 59 8.120 5.467 8.925 1.00 0.00 O ATOM 0 H SER A 59 6.091 8.931 8.805 1.00 0.00 H new ATOM 0 HA SER A 59 8.581 7.698 7.793 1.00 0.00 H new ATOM 0 HB2 SER A 59 7.443 7.043 10.060 1.00 0.00 H new ATOM 0 HB3 SER A 59 6.229 6.265 9.064 1.00 0.00 H new ATOM 0 HG SER A 59 7.948 4.821 9.642 1.00 0.00 H new ATOM 893 N ASP A 60 7.592 6.603 5.786 1.00 0.00 N ATOM 894 CA ASP A 60 7.056 6.136 4.513 1.00 0.00 C ATOM 895 C ASP A 60 6.961 4.613 4.491 1.00 0.00 C ATOM 896 O ASP A 60 6.888 4.002 3.423 1.00 0.00 O ATOM 897 CB ASP A 60 7.931 6.622 3.357 1.00 0.00 C ATOM 898 CG ASP A 60 8.360 8.066 3.523 1.00 0.00 C ATOM 899 OD1 ASP A 60 7.506 8.962 3.353 1.00 0.00 O ATOM 900 OD2 ASP A 60 9.549 8.302 3.824 1.00 0.00 O ATOM 0 H ASP A 60 8.593 6.445 5.906 1.00 0.00 H new ATOM 0 HA ASP A 60 6.053 6.547 4.396 1.00 0.00 H new ATOM 0 HB2 ASP A 60 8.816 5.989 3.284 1.00 0.00 H new ATOM 0 HB3 ASP A 60 7.384 6.514 2.421 1.00 0.00 H new ATOM 905 N ILE A 61 6.965 4.008 5.673 1.00 0.00 N ATOM 906 CA ILE A 61 6.880 2.557 5.788 1.00 0.00 C ATOM 907 C ILE A 61 5.646 2.140 6.580 1.00 0.00 C ATOM 908 O ILE A 61 5.515 2.465 7.761 1.00 0.00 O ATOM 909 CB ILE A 61 8.133 1.972 6.465 1.00 0.00 C ATOM 910 CG1 ILE A 61 9.389 2.698 5.978 1.00 0.00 C ATOM 911 CG2 ILE A 61 8.237 0.479 6.186 1.00 0.00 C ATOM 912 CD1 ILE A 61 9.756 2.377 4.547 1.00 0.00 C ATOM 0 H ILE A 61 7.026 4.499 6.565 1.00 0.00 H new ATOM 0 HA ILE A 61 6.808 2.163 4.774 1.00 0.00 H new ATOM 0 HB ILE A 61 8.047 2.117 7.542 1.00 0.00 H new ATOM 0 HG12 ILE A 61 9.237 3.773 6.073 1.00 0.00 H new ATOM 0 HG13 ILE A 61 10.225 2.436 6.626 1.00 0.00 H new ATOM 0 HG21 ILE A 61 9.128 0.079 6.671 1.00 0.00 H new ATOM 0 HG22 ILE A 61 7.354 -0.026 6.576 1.00 0.00 H new ATOM 0 HG23 ILE A 61 8.304 0.314 5.111 1.00 0.00 H new ATOM 0 HD11 ILE A 61 10.656 2.927 4.270 1.00 0.00 H new ATOM 0 HD12 ILE A 61 9.940 1.307 4.450 1.00 0.00 H new ATOM 0 HD13 ILE A 61 8.937 2.665 3.888 1.00 0.00 H new ATOM 924 N ILE A 62 4.744 1.417 5.924 1.00 0.00 N ATOM 925 CA ILE A 62 3.522 0.953 6.568 1.00 0.00 C ATOM 926 C ILE A 62 3.705 -0.443 7.153 1.00 0.00 C ATOM 927 O ILE A 62 4.335 -1.306 6.542 1.00 0.00 O ATOM 928 CB ILE A 62 2.338 0.933 5.583 1.00 0.00 C ATOM 929 CG1 ILE A 62 1.882 2.361 5.273 1.00 0.00 C ATOM 930 CG2 ILE A 62 1.188 0.115 6.152 1.00 0.00 C ATOM 931 CD1 ILE A 62 0.817 2.434 4.200 1.00 0.00 C ATOM 0 H ILE A 62 4.837 1.140 4.947 1.00 0.00 H new ATOM 0 HA ILE A 62 3.303 1.656 7.372 1.00 0.00 H new ATOM 0 HB ILE A 62 2.664 0.465 4.654 1.00 0.00 H new ATOM 0 HG12 ILE A 62 1.499 2.818 6.186 1.00 0.00 H new ATOM 0 HG13 ILE A 62 2.744 2.949 4.959 1.00 0.00 H new ATOM 0 HG21 ILE A 62 0.359 0.111 5.444 1.00 0.00 H new ATOM 0 HG22 ILE A 62 1.521 -0.908 6.327 1.00 0.00 H new ATOM 0 HG23 ILE A 62 0.859 0.556 7.093 1.00 0.00 H new ATOM 0 HD11 ILE A 62 0.541 3.475 4.031 1.00 0.00 H new ATOM 0 HD12 ILE A 62 1.203 2.006 3.275 1.00 0.00 H new ATOM 0 HD13 ILE A 62 -0.061 1.873 4.520 1.00 0.00 H new ATOM 943 N ALA A 63 3.149 -0.659 8.341 1.00 0.00 N ATOM 944 CA ALA A 63 3.247 -1.951 9.007 1.00 0.00 C ATOM 945 C ALA A 63 1.918 -2.697 8.958 1.00 0.00 C ATOM 946 O ALA A 63 0.878 -2.157 9.338 1.00 0.00 O ATOM 947 CB ALA A 63 3.699 -1.770 10.448 1.00 0.00 C ATOM 0 H ALA A 63 2.626 0.045 8.862 1.00 0.00 H new ATOM 0 HA ALA A 63 3.989 -2.548 8.477 1.00 0.00 H new ATOM 0 HB1 ALA A 63 3.768 -2.744 10.933 1.00 0.00 H new ATOM 0 HB2 ALA A 63 4.676 -1.287 10.465 1.00 0.00 H new ATOM 0 HB3 ALA A 63 2.978 -1.150 10.980 1.00 0.00 H new ATOM 953 N ILE A 64 1.958 -3.939 8.486 1.00 0.00 N ATOM 954 CA ILE A 64 0.756 -4.757 8.388 1.00 0.00 C ATOM 955 C ILE A 64 0.845 -5.976 9.301 1.00 0.00 C ATOM 956 O ILE A 64 1.843 -6.697 9.297 1.00 0.00 O ATOM 957 CB ILE A 64 0.513 -5.230 6.943 1.00 0.00 C ATOM 958 CG1 ILE A 64 0.688 -4.064 5.966 1.00 0.00 C ATOM 959 CG2 ILE A 64 -0.876 -5.835 6.809 1.00 0.00 C ATOM 960 CD1 ILE A 64 0.457 -4.447 4.521 1.00 0.00 C ATOM 0 H ILE A 64 2.810 -4.400 8.166 1.00 0.00 H new ATOM 0 HA ILE A 64 -0.079 -4.130 8.702 1.00 0.00 H new ATOM 0 HB ILE A 64 1.247 -5.998 6.700 1.00 0.00 H new ATOM 0 HG12 ILE A 64 -0.004 -3.266 6.237 1.00 0.00 H new ATOM 0 HG13 ILE A 64 1.696 -3.661 6.070 1.00 0.00 H new ATOM 0 HG21 ILE A 64 -1.032 -6.164 5.782 1.00 0.00 H new ATOM 0 HG22 ILE A 64 -0.968 -6.688 7.481 1.00 0.00 H new ATOM 0 HG23 ILE A 64 -1.625 -5.087 7.068 1.00 0.00 H new ATOM 0 HD11 ILE A 64 0.598 -3.572 3.886 1.00 0.00 H new ATOM 0 HD12 ILE A 64 1.166 -5.223 4.232 1.00 0.00 H new ATOM 0 HD13 ILE A 64 -0.560 -4.822 4.402 1.00 0.00 H new ATOM 972 N THR A 65 -0.208 -6.202 10.081 1.00 0.00 N ATOM 973 CA THR A 65 -0.249 -7.333 10.999 1.00 0.00 C ATOM 974 C THR A 65 -1.211 -8.407 10.504 1.00 0.00 C ATOM 975 O THR A 65 -2.308 -8.104 10.034 1.00 0.00 O ATOM 976 CB THR A 65 -0.673 -6.894 12.414 1.00 0.00 C ATOM 977 OG1 THR A 65 0.224 -5.890 12.904 1.00 0.00 O ATOM 978 CG2 THR A 65 -0.686 -8.079 13.367 1.00 0.00 C ATOM 0 H THR A 65 -1.043 -5.617 10.095 1.00 0.00 H new ATOM 0 HA THR A 65 0.760 -7.743 11.041 1.00 0.00 H new ATOM 0 HB THR A 65 -1.681 -6.484 12.357 1.00 0.00 H new ATOM 0 HG1 THR A 65 -0.053 -5.615 13.803 1.00 0.00 H new ATOM 0 HG21 THR A 65 -0.988 -7.745 14.359 1.00 0.00 H new ATOM 0 HG22 THR A 65 -1.391 -8.828 13.006 1.00 0.00 H new ATOM 0 HG23 THR A 65 0.312 -8.515 13.419 1.00 0.00 H new ATOM 986 N GLY A 66 -0.794 -9.665 10.614 1.00 0.00 N ATOM 987 CA GLY A 66 -1.631 -10.765 10.173 1.00 0.00 C ATOM 988 C GLY A 66 -0.840 -12.035 9.932 1.00 0.00 C ATOM 989 O GLY A 66 0.386 -12.042 10.044 1.00 0.00 O ATOM 0 H GLY A 66 0.108 -9.941 11.001 1.00 0.00 H new ATOM 0 HA2 GLY A 66 -2.399 -10.956 10.922 1.00 0.00 H new ATOM 0 HA3 GLY A 66 -2.145 -10.481 9.255 1.00 0.00 H new ATOM 993 N LEU A 67 -1.542 -13.113 9.601 1.00 0.00 N ATOM 994 CA LEU A 67 -0.897 -14.397 9.346 1.00 0.00 C ATOM 995 C LEU A 67 -0.045 -14.336 8.082 1.00 0.00 C ATOM 996 O LEU A 67 -0.463 -13.783 7.066 1.00 0.00 O ATOM 997 CB LEU A 67 -1.949 -15.500 9.211 1.00 0.00 C ATOM 998 CG LEU A 67 -2.774 -15.796 10.463 1.00 0.00 C ATOM 999 CD1 LEU A 67 -3.805 -16.878 10.180 1.00 0.00 C ATOM 1000 CD2 LEU A 67 -1.869 -16.209 11.614 1.00 0.00 C ATOM 0 H LEU A 67 -2.557 -13.124 9.503 1.00 0.00 H new ATOM 0 HA LEU A 67 -0.247 -14.624 10.191 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -2.632 -15.227 8.406 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -1.447 -16.418 8.905 1.00 0.00 H new ATOM 0 HG LEU A 67 -3.301 -14.886 10.750 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -4.383 -17.075 11.083 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -4.474 -16.545 9.387 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -3.298 -17.791 9.867 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -2.474 -16.416 12.497 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -1.314 -17.105 11.337 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -1.170 -15.403 11.834 1.00 0.00 H new ATOM 1012 N ALA A 68 1.153 -14.908 8.154 1.00 0.00 N ATOM 1013 CA ALA A 68 2.063 -14.922 7.016 1.00 0.00 C ATOM 1014 C ALA A 68 1.300 -15.093 5.706 1.00 0.00 C ATOM 1015 O ALA A 68 1.665 -14.512 4.684 1.00 0.00 O ATOM 1016 CB ALA A 68 3.093 -16.030 7.178 1.00 0.00 C ATOM 0 H ALA A 68 1.515 -15.368 8.989 1.00 0.00 H new ATOM 0 HA ALA A 68 2.580 -13.963 6.983 1.00 0.00 H new ATOM 0 HB1 ALA A 68 3.766 -16.029 6.321 1.00 0.00 H new ATOM 0 HB2 ALA A 68 3.666 -15.863 8.090 1.00 0.00 H new ATOM 0 HB3 ALA A 68 2.585 -16.993 7.239 1.00 0.00 H new ATOM 1022 N ALA A 69 0.241 -15.894 5.743 1.00 0.00 N ATOM 1023 CA ALA A 69 -0.573 -16.140 4.559 1.00 0.00 C ATOM 1024 C ALA A 69 -1.346 -14.889 4.156 1.00 0.00 C ATOM 1025 O ALA A 69 -1.293 -14.461 3.003 1.00 0.00 O ATOM 1026 CB ALA A 69 -1.530 -17.296 4.808 1.00 0.00 C ATOM 0 H ALA A 69 -0.074 -16.384 6.580 1.00 0.00 H new ATOM 0 HA ALA A 69 0.093 -16.405 3.738 1.00 0.00 H new ATOM 0 HB1 ALA A 69 -2.132 -17.469 3.916 1.00 0.00 H new ATOM 0 HB2 ALA A 69 -0.961 -18.196 5.042 1.00 0.00 H new ATOM 0 HB3 ALA A 69 -2.184 -17.053 5.645 1.00 0.00 H new ATOM 1032 N ASN A 70 -2.064 -14.308 5.111 1.00 0.00 N ATOM 1033 CA ASN A 70 -2.849 -13.106 4.854 1.00 0.00 C ATOM 1034 C ASN A 70 -1.948 -11.945 4.444 1.00 0.00 C ATOM 1035 O ASN A 70 -2.248 -11.216 3.497 1.00 0.00 O ATOM 1036 CB ASN A 70 -3.659 -12.725 6.095 1.00 0.00 C ATOM 1037 CG ASN A 70 -4.423 -13.903 6.670 1.00 0.00 C ATOM 1038 OD1 ASN A 70 -4.526 -14.957 6.043 1.00 0.00 O ATOM 1039 ND2 ASN A 70 -4.964 -13.726 7.871 1.00 0.00 N ATOM 0 H ASN A 70 -2.119 -14.650 6.070 1.00 0.00 H new ATOM 0 HA ASN A 70 -3.534 -13.318 4.033 1.00 0.00 H new ATOM 0 HB2 ASN A 70 -2.988 -12.325 6.855 1.00 0.00 H new ATOM 0 HB3 ASN A 70 -4.360 -11.931 5.838 1.00 0.00 H new ATOM 0 HD21 ASN A 70 -5.490 -14.482 8.310 1.00 0.00 H new ATOM 0 HD22 ASN A 70 -4.853 -12.835 8.354 1.00 0.00 H new ATOM 1046 N LEU A 71 -0.843 -11.779 5.162 1.00 0.00 N ATOM 1047 CA LEU A 71 0.103 -10.707 4.874 1.00 0.00 C ATOM 1048 C LEU A 71 0.480 -10.696 3.396 1.00 0.00 C ATOM 1049 O LEU A 71 0.642 -9.635 2.795 1.00 0.00 O ATOM 1050 CB LEU A 71 1.359 -10.864 5.732 1.00 0.00 C ATOM 1051 CG LEU A 71 1.130 -11.032 7.234 1.00 0.00 C ATOM 1052 CD1 LEU A 71 2.390 -11.547 7.913 1.00 0.00 C ATOM 1053 CD2 LEU A 71 0.687 -9.716 7.856 1.00 0.00 C ATOM 0 H LEU A 71 -0.580 -12.373 5.948 1.00 0.00 H new ATOM 0 HA LEU A 71 -0.377 -9.758 5.114 1.00 0.00 H new ATOM 0 HB2 LEU A 71 1.915 -11.729 5.371 1.00 0.00 H new ATOM 0 HB3 LEU A 71 1.992 -9.990 5.577 1.00 0.00 H new ATOM 0 HG LEU A 71 0.338 -11.766 7.381 1.00 0.00 H new ATOM 0 HD11 LEU A 71 2.207 -11.660 8.982 1.00 0.00 H new ATOM 0 HD12 LEU A 71 2.664 -12.512 7.488 1.00 0.00 H new ATOM 0 HD13 LEU A 71 3.203 -10.838 7.757 1.00 0.00 H new ATOM 0 HD21 LEU A 71 0.529 -9.854 8.926 1.00 0.00 H new ATOM 0 HD22 LEU A 71 1.457 -8.961 7.698 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -0.243 -9.388 7.391 1.00 0.00 H new ATOM 1065 N ASP A 72 0.615 -11.884 2.817 1.00 0.00 N ATOM 1066 CA ASP A 72 0.970 -12.012 1.409 1.00 0.00 C ATOM 1067 C ASP A 72 -0.079 -11.348 0.521 1.00 0.00 C ATOM 1068 O ASP A 72 0.256 -10.640 -0.429 1.00 0.00 O ATOM 1069 CB ASP A 72 1.116 -13.487 1.030 1.00 0.00 C ATOM 1070 CG ASP A 72 2.520 -14.009 1.263 1.00 0.00 C ATOM 1071 OD1 ASP A 72 3.120 -13.654 2.300 1.00 0.00 O ATOM 1072 OD2 ASP A 72 3.018 -14.773 0.410 1.00 0.00 O ATOM 0 H ASP A 72 0.484 -12.772 3.301 1.00 0.00 H new ATOM 0 HA ASP A 72 1.924 -11.508 1.253 1.00 0.00 H new ATOM 0 HB2 ASP A 72 0.410 -14.080 1.611 1.00 0.00 H new ATOM 0 HB3 ASP A 72 0.853 -13.617 -0.020 1.00 0.00 H new ATOM 1077 N ARG A 73 -1.348 -11.582 0.838 1.00 0.00 N ATOM 1078 CA ARG A 73 -2.445 -11.008 0.068 1.00 0.00 C ATOM 1079 C ARG A 73 -2.541 -9.502 0.297 1.00 0.00 C ATOM 1080 O ARG A 73 -2.539 -8.720 -0.652 1.00 0.00 O ATOM 1081 CB ARG A 73 -3.768 -11.676 0.449 1.00 0.00 C ATOM 1082 CG ARG A 73 -3.613 -13.121 0.895 1.00 0.00 C ATOM 1083 CD ARG A 73 -4.849 -13.942 0.563 1.00 0.00 C ATOM 1084 NE ARG A 73 -4.833 -14.421 -0.817 1.00 0.00 N ATOM 1085 CZ ARG A 73 -3.933 -15.276 -1.288 1.00 0.00 C ATOM 1086 NH1 ARG A 73 -2.980 -15.745 -0.495 1.00 0.00 N ATOM 1087 NH2 ARG A 73 -3.985 -15.663 -2.557 1.00 0.00 N ATOM 0 H ARG A 73 -1.642 -12.165 1.622 1.00 0.00 H new ATOM 0 HA ARG A 73 -2.245 -11.186 -0.989 1.00 0.00 H new ATOM 0 HB2 ARG A 73 -4.236 -11.105 1.251 1.00 0.00 H new ATOM 0 HB3 ARG A 73 -4.444 -11.639 -0.405 1.00 0.00 H new ATOM 0 HG2 ARG A 73 -2.742 -13.561 0.410 1.00 0.00 H new ATOM 0 HG3 ARG A 73 -3.431 -13.154 1.969 1.00 0.00 H new ATOM 0 HD2 ARG A 73 -4.912 -14.793 1.241 1.00 0.00 H new ATOM 0 HD3 ARG A 73 -5.741 -13.337 0.727 1.00 0.00 H new ATOM 0 HE ARG A 73 -5.553 -14.080 -1.454 1.00 0.00 H new ATOM 0 HH11 ARG A 73 -2.937 -15.449 0.480 1.00 0.00 H new ATOM 0 HH12 ARG A 73 -2.290 -16.402 -0.860 1.00 0.00 H new ATOM 0 HH21 ARG A 73 -4.716 -15.303 -3.170 1.00 0.00 H new ATOM 0 HH22 ARG A 73 -3.293 -16.320 -2.919 1.00 0.00 H new ATOM 1101 N ALA A 74 -2.624 -9.105 1.562 1.00 0.00 N ATOM 1102 CA ALA A 74 -2.719 -7.694 1.916 1.00 0.00 C ATOM 1103 C ALA A 74 -1.572 -6.897 1.303 1.00 0.00 C ATOM 1104 O ALA A 74 -1.794 -5.941 0.560 1.00 0.00 O ATOM 1105 CB ALA A 74 -2.731 -7.529 3.428 1.00 0.00 C ATOM 0 H ALA A 74 -2.627 -9.741 2.360 1.00 0.00 H new ATOM 0 HA ALA A 74 -3.654 -7.305 1.512 1.00 0.00 H new ATOM 0 HB1 ALA A 74 -2.802 -6.470 3.678 1.00 0.00 H new ATOM 0 HB2 ALA A 74 -3.587 -8.059 3.845 1.00 0.00 H new ATOM 0 HB3 ALA A 74 -1.812 -7.939 3.846 1.00 0.00 H new ATOM 1111 N LYS A 75 -0.345 -7.296 1.621 1.00 0.00 N ATOM 1112 CA LYS A 75 0.838 -6.620 1.102 1.00 0.00 C ATOM 1113 C LYS A 75 0.731 -6.415 -0.406 1.00 0.00 C ATOM 1114 O LYS A 75 1.085 -5.357 -0.926 1.00 0.00 O ATOM 1115 CB LYS A 75 2.097 -7.426 1.429 1.00 0.00 C ATOM 1116 CG LYS A 75 3.389 -6.692 1.112 1.00 0.00 C ATOM 1117 CD LYS A 75 4.604 -7.567 1.369 1.00 0.00 C ATOM 1118 CE LYS A 75 5.870 -6.943 0.803 1.00 0.00 C ATOM 1119 NZ LYS A 75 7.052 -7.834 0.972 1.00 0.00 N ATOM 0 H LYS A 75 -0.144 -8.085 2.236 1.00 0.00 H new ATOM 0 HA LYS A 75 0.905 -5.643 1.580 1.00 0.00 H new ATOM 0 HB2 LYS A 75 2.087 -7.686 2.487 1.00 0.00 H new ATOM 0 HB3 LYS A 75 2.074 -8.362 0.871 1.00 0.00 H new ATOM 0 HG2 LYS A 75 3.382 -6.375 0.069 1.00 0.00 H new ATOM 0 HG3 LYS A 75 3.454 -5.789 1.719 1.00 0.00 H new ATOM 0 HD2 LYS A 75 4.722 -7.722 2.441 1.00 0.00 H new ATOM 0 HD3 LYS A 75 4.449 -8.548 0.920 1.00 0.00 H new ATOM 0 HE2 LYS A 75 5.726 -6.727 -0.256 1.00 0.00 H new ATOM 0 HE3 LYS A 75 6.059 -5.991 1.299 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 7.894 -7.372 0.573 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 7.205 -8.020 1.984 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 6.883 -8.733 0.477 1.00 0.00 H new ATOM 1133 N ALA A 76 0.238 -7.435 -1.103 1.00 0.00 N ATOM 1134 CA ALA A 76 0.081 -7.364 -2.551 1.00 0.00 C ATOM 1135 C ALA A 76 -0.947 -6.308 -2.941 1.00 0.00 C ATOM 1136 O ALA A 76 -0.813 -5.649 -3.971 1.00 0.00 O ATOM 1137 CB ALA A 76 -0.319 -8.725 -3.104 1.00 0.00 C ATOM 0 H ALA A 76 -0.059 -8.319 -0.689 1.00 0.00 H new ATOM 0 HA ALA A 76 1.039 -7.075 -2.983 1.00 0.00 H new ATOM 0 HB1 ALA A 76 -0.433 -8.659 -4.186 1.00 0.00 H new ATOM 0 HB2 ALA A 76 0.453 -9.456 -2.865 1.00 0.00 H new ATOM 0 HB3 ALA A 76 -1.264 -9.036 -2.658 1.00 0.00 H new ATOM 1143 N GLY A 77 -1.974 -6.154 -2.111 1.00 0.00 N ATOM 1144 CA GLY A 77 -3.010 -5.177 -2.388 1.00 0.00 C ATOM 1145 C GLY A 77 -2.514 -3.751 -2.254 1.00 0.00 C ATOM 1146 O GLY A 77 -2.905 -2.874 -3.027 1.00 0.00 O ATOM 0 H GLY A 77 -2.107 -6.688 -1.252 1.00 0.00 H new ATOM 0 HA2 GLY A 77 -3.391 -5.332 -3.397 1.00 0.00 H new ATOM 0 HA3 GLY A 77 -3.845 -5.334 -1.705 1.00 0.00 H new ATOM 1150 N LEU A 78 -1.651 -3.517 -1.272 1.00 0.00 N ATOM 1151 CA LEU A 78 -1.101 -2.186 -1.038 1.00 0.00 C ATOM 1152 C LEU A 78 -0.123 -1.799 -2.143 1.00 0.00 C ATOM 1153 O LEU A 78 -0.240 -0.730 -2.745 1.00 0.00 O ATOM 1154 CB LEU A 78 -0.399 -2.134 0.320 1.00 0.00 C ATOM 1155 CG LEU A 78 -0.333 -0.760 0.989 1.00 0.00 C ATOM 1156 CD1 LEU A 78 -1.732 -0.233 1.265 1.00 0.00 C ATOM 1157 CD2 LEU A 78 0.475 -0.833 2.276 1.00 0.00 C ATOM 0 H LEU A 78 -1.317 -4.231 -0.625 1.00 0.00 H new ATOM 0 HA LEU A 78 -1.926 -1.473 -1.042 1.00 0.00 H new ATOM 0 HB2 LEU A 78 -0.908 -2.821 0.996 1.00 0.00 H new ATOM 0 HB3 LEU A 78 0.618 -2.504 0.195 1.00 0.00 H new ATOM 0 HG LEU A 78 0.165 -0.069 0.309 1.00 0.00 H new ATOM 0 HD11 LEU A 78 -1.665 0.745 1.741 1.00 0.00 H new ATOM 0 HD12 LEU A 78 -2.279 -0.143 0.326 1.00 0.00 H new ATOM 0 HD13 LEU A 78 -2.257 -0.923 1.926 1.00 0.00 H new ATOM 0 HD21 LEU A 78 0.512 0.153 2.739 1.00 0.00 H new ATOM 0 HD22 LEU A 78 0.005 -1.538 2.961 1.00 0.00 H new ATOM 0 HD23 LEU A 78 1.488 -1.166 2.051 1.00 0.00 H new ATOM 1169 N LEU A 79 0.840 -2.676 -2.408 1.00 0.00 N ATOM 1170 CA LEU A 79 1.837 -2.427 -3.443 1.00 0.00 C ATOM 1171 C LEU A 79 1.170 -2.045 -4.761 1.00 0.00 C ATOM 1172 O LEU A 79 1.556 -1.067 -5.400 1.00 0.00 O ATOM 1173 CB LEU A 79 2.712 -3.666 -3.642 1.00 0.00 C ATOM 1174 CG LEU A 79 3.663 -4.008 -2.495 1.00 0.00 C ATOM 1175 CD1 LEU A 79 4.251 -5.397 -2.684 1.00 0.00 C ATOM 1176 CD2 LEU A 79 4.769 -2.969 -2.390 1.00 0.00 C ATOM 0 H LEU A 79 0.951 -3.565 -1.921 1.00 0.00 H new ATOM 0 HA LEU A 79 2.462 -1.595 -3.119 1.00 0.00 H new ATOM 0 HB2 LEU A 79 2.060 -4.522 -3.814 1.00 0.00 H new ATOM 0 HB3 LEU A 79 3.302 -3.527 -4.548 1.00 0.00 H new ATOM 0 HG LEU A 79 3.095 -4.000 -1.565 1.00 0.00 H new ATOM 0 HD11 LEU A 79 4.925 -5.622 -1.858 1.00 0.00 H new ATOM 0 HD12 LEU A 79 3.447 -6.132 -2.707 1.00 0.00 H new ATOM 0 HD13 LEU A 79 4.803 -5.434 -3.623 1.00 0.00 H new ATOM 0 HD21 LEU A 79 5.436 -3.229 -1.568 1.00 0.00 H new ATOM 0 HD22 LEU A 79 5.334 -2.944 -3.322 1.00 0.00 H new ATOM 0 HD23 LEU A 79 4.331 -1.988 -2.205 1.00 0.00 H new ATOM 1188 N GLU A 80 0.168 -2.822 -5.159 1.00 0.00 N ATOM 1189 CA GLU A 80 -0.553 -2.562 -6.400 1.00 0.00 C ATOM 1190 C GLU A 80 -1.348 -1.264 -6.305 1.00 0.00 C ATOM 1191 O GLU A 80 -1.615 -0.612 -7.316 1.00 0.00 O ATOM 1192 CB GLU A 80 -1.492 -3.726 -6.723 1.00 0.00 C ATOM 1193 CG GLU A 80 -0.768 -4.999 -7.126 1.00 0.00 C ATOM 1194 CD GLU A 80 -1.717 -6.151 -7.394 1.00 0.00 C ATOM 1195 OE1 GLU A 80 -2.657 -5.971 -8.196 1.00 0.00 O ATOM 1196 OE2 GLU A 80 -1.519 -7.233 -6.801 1.00 0.00 O ATOM 0 H GLU A 80 -0.163 -3.636 -4.641 1.00 0.00 H new ATOM 0 HA GLU A 80 0.179 -2.462 -7.202 1.00 0.00 H new ATOM 0 HB2 GLU A 80 -2.114 -3.932 -5.852 1.00 0.00 H new ATOM 0 HB3 GLU A 80 -2.162 -3.428 -7.530 1.00 0.00 H new ATOM 0 HG2 GLU A 80 -0.174 -4.807 -8.020 1.00 0.00 H new ATOM 0 HG3 GLU A 80 -0.073 -5.282 -6.336 1.00 0.00 H new ATOM 1203 N ARG A 81 -1.725 -0.894 -5.085 1.00 0.00 N ATOM 1204 CA ARG A 81 -2.490 0.326 -4.858 1.00 0.00 C ATOM 1205 C ARG A 81 -1.613 1.561 -5.039 1.00 0.00 C ATOM 1206 O ARG A 81 -2.077 2.605 -5.498 1.00 0.00 O ATOM 1207 CB ARG A 81 -3.097 0.318 -3.455 1.00 0.00 C ATOM 1208 CG ARG A 81 -4.400 1.095 -3.350 1.00 0.00 C ATOM 1209 CD ARG A 81 -5.600 0.211 -3.647 1.00 0.00 C ATOM 1210 NE ARG A 81 -6.859 0.941 -3.534 1.00 0.00 N ATOM 1211 CZ ARG A 81 -8.044 0.351 -3.420 1.00 0.00 C ATOM 1212 NH1 ARG A 81 -8.130 -0.972 -3.403 1.00 0.00 N ATOM 1213 NH2 ARG A 81 -9.146 1.084 -3.320 1.00 0.00 N ATOM 0 H ARG A 81 -1.513 -1.422 -4.239 1.00 0.00 H new ATOM 0 HA ARG A 81 -3.293 0.363 -5.594 1.00 0.00 H new ATOM 0 HB2 ARG A 81 -3.274 -0.714 -3.151 1.00 0.00 H new ATOM 0 HB3 ARG A 81 -2.376 0.738 -2.754 1.00 0.00 H new ATOM 0 HG2 ARG A 81 -4.495 1.515 -2.349 1.00 0.00 H new ATOM 0 HG3 ARG A 81 -4.383 1.933 -4.047 1.00 0.00 H new ATOM 0 HD2 ARG A 81 -5.508 -0.199 -4.653 1.00 0.00 H new ATOM 0 HD3 ARG A 81 -5.608 -0.633 -2.958 1.00 0.00 H new ATOM 0 HE ARG A 81 -6.827 1.960 -3.543 1.00 0.00 H new ATOM 0 HH11 ARG A 81 -7.285 -1.539 -3.478 1.00 0.00 H new ATOM 0 HH12 ARG A 81 -9.041 -1.423 -3.315 1.00 0.00 H new ATOM 0 HH21 ARG A 81 -9.084 2.102 -3.331 1.00 0.00 H new ATOM 0 HH22 ARG A 81 -10.055 0.629 -3.233 1.00 0.00 H new ATOM 1227 N VAL A 82 -0.341 1.435 -4.674 1.00 0.00 N ATOM 1228 CA VAL A 82 0.602 2.540 -4.795 1.00 0.00 C ATOM 1229 C VAL A 82 0.971 2.790 -6.254 1.00 0.00 C ATOM 1230 O VAL A 82 1.048 3.935 -6.699 1.00 0.00 O ATOM 1231 CB VAL A 82 1.888 2.272 -3.991 1.00 0.00 C ATOM 1232 CG1 VAL A 82 2.879 3.412 -4.171 1.00 0.00 C ATOM 1233 CG2 VAL A 82 1.563 2.064 -2.520 1.00 0.00 C ATOM 0 H VAL A 82 0.060 0.578 -4.292 1.00 0.00 H new ATOM 0 HA VAL A 82 0.108 3.423 -4.391 1.00 0.00 H new ATOM 0 HB VAL A 82 2.349 1.360 -4.370 1.00 0.00 H new ATOM 0 HG11 VAL A 82 3.781 3.204 -3.595 1.00 0.00 H new ATOM 0 HG12 VAL A 82 3.136 3.508 -5.226 1.00 0.00 H new ATOM 0 HG13 VAL A 82 2.431 4.342 -3.821 1.00 0.00 H new ATOM 0 HG21 VAL A 82 2.483 1.876 -1.967 1.00 0.00 H new ATOM 0 HG22 VAL A 82 1.078 2.957 -2.125 1.00 0.00 H new ATOM 0 HG23 VAL A 82 0.894 1.210 -2.412 1.00 0.00 H new ATOM 1243 N LYS A 83 1.196 1.711 -6.995 1.00 0.00 N ATOM 1244 CA LYS A 83 1.556 1.810 -8.404 1.00 0.00 C ATOM 1245 C LYS A 83 0.406 2.397 -9.218 1.00 0.00 C ATOM 1246 O LYS A 83 0.625 3.169 -10.150 1.00 0.00 O ATOM 1247 CB LYS A 83 1.935 0.433 -8.954 1.00 0.00 C ATOM 1248 CG LYS A 83 3.159 -0.171 -8.291 1.00 0.00 C ATOM 1249 CD LYS A 83 3.107 -1.689 -8.301 1.00 0.00 C ATOM 1250 CE LYS A 83 4.502 -2.295 -8.307 1.00 0.00 C ATOM 1251 NZ LYS A 83 5.053 -2.404 -9.686 1.00 0.00 N ATOM 0 H LYS A 83 1.135 0.756 -6.642 1.00 0.00 H new ATOM 0 HA LYS A 83 2.415 2.475 -8.488 1.00 0.00 H new ATOM 0 HB2 LYS A 83 1.091 -0.245 -8.826 1.00 0.00 H new ATOM 0 HB3 LYS A 83 2.117 0.517 -10.025 1.00 0.00 H new ATOM 0 HG2 LYS A 83 4.057 0.166 -8.808 1.00 0.00 H new ATOM 0 HG3 LYS A 83 3.230 0.185 -7.263 1.00 0.00 H new ATOM 0 HD2 LYS A 83 2.560 -2.041 -7.426 1.00 0.00 H new ATOM 0 HD3 LYS A 83 2.558 -2.029 -9.179 1.00 0.00 H new ATOM 0 HE2 LYS A 83 5.167 -1.683 -7.698 1.00 0.00 H new ATOM 0 HE3 LYS A 83 4.471 -3.284 -7.849 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 6.005 -2.821 -9.648 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 4.433 -3.009 -10.261 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 5.107 -1.458 -10.114 1.00 0.00 H new ATOM 1265 N GLU A 84 -0.819 2.024 -8.857 1.00 0.00 N ATOM 1266 CA GLU A 84 -2.002 2.514 -9.555 1.00 0.00 C ATOM 1267 C GLU A 84 -2.374 3.915 -9.076 1.00 0.00 C ATOM 1268 O GLU A 84 -2.593 4.821 -9.881 1.00 0.00 O ATOM 1269 CB GLU A 84 -3.178 1.561 -9.342 1.00 0.00 C ATOM 1270 CG GLU A 84 -4.458 2.010 -10.027 1.00 0.00 C ATOM 1271 CD GLU A 84 -4.482 1.665 -11.503 1.00 0.00 C ATOM 1272 OE1 GLU A 84 -3.935 2.450 -12.304 1.00 0.00 O ATOM 1273 OE2 GLU A 84 -5.048 0.609 -11.856 1.00 0.00 O ATOM 0 H GLU A 84 -1.017 1.385 -8.087 1.00 0.00 H new ATOM 0 HA GLU A 84 -1.771 2.562 -10.619 1.00 0.00 H new ATOM 0 HB2 GLU A 84 -2.905 0.573 -9.712 1.00 0.00 H new ATOM 0 HB3 GLU A 84 -3.364 1.461 -8.273 1.00 0.00 H new ATOM 0 HG2 GLU A 84 -5.312 1.544 -9.535 1.00 0.00 H new ATOM 0 HG3 GLU A 84 -4.571 3.088 -9.908 1.00 0.00 H new ATOM 1280 N LEU A 85 -2.446 4.084 -7.761 1.00 0.00 N ATOM 1281 CA LEU A 85 -2.793 5.372 -7.172 1.00 0.00 C ATOM 1282 C LEU A 85 -1.931 6.487 -7.755 1.00 0.00 C ATOM 1283 O LEU A 85 -2.442 7.526 -8.172 1.00 0.00 O ATOM 1284 CB LEU A 85 -2.624 5.324 -5.652 1.00 0.00 C ATOM 1285 CG LEU A 85 -3.762 4.665 -4.872 1.00 0.00 C ATOM 1286 CD1 LEU A 85 -3.297 4.276 -3.477 1.00 0.00 C ATOM 1287 CD2 LEU A 85 -4.964 5.595 -4.795 1.00 0.00 C ATOM 0 H LEU A 85 -2.268 3.344 -7.081 1.00 0.00 H new ATOM 0 HA LEU A 85 -3.836 5.582 -7.409 1.00 0.00 H new ATOM 0 HB2 LEU A 85 -1.700 4.793 -5.426 1.00 0.00 H new ATOM 0 HB3 LEU A 85 -2.503 6.344 -5.287 1.00 0.00 H new ATOM 0 HG LEU A 85 -4.062 3.759 -5.399 1.00 0.00 H new ATOM 0 HD11 LEU A 85 -4.120 3.808 -2.936 1.00 0.00 H new ATOM 0 HD12 LEU A 85 -2.467 3.573 -3.553 1.00 0.00 H new ATOM 0 HD13 LEU A 85 -2.970 5.167 -2.941 1.00 0.00 H new ATOM 0 HD21 LEU A 85 -5.764 5.110 -4.236 1.00 0.00 H new ATOM 0 HD22 LEU A 85 -4.678 6.518 -4.291 1.00 0.00 H new ATOM 0 HD23 LEU A 85 -5.312 5.824 -5.802 1.00 0.00 H new